1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine

C20H30N2 — CID 145462330

IUPAC1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine
SMILESC=C/C=C\C(C1=CCC(C(C)(CC)NC(=C)NC)=C1)=C(C)C
InChIInChI=1S/C20H30N2/c1-8-10-11-19(15(3)4)17-12-13-18(14-17)20(6,9-2)22-16(5)21-7/h8,10-12,14,21-22H,1,5,9,13H2,2-4,6-7H3/b11-10-
InChIKeyGPFBPXJHQKKOMF-KHPPLWFESA-N
MW298.47 g/mol
LogP4.77
Rot. Bonds8

About 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine

1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine (PubChem CID 145462330) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine
PubChem CID145462330
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine
SMILESC=C/C=C\C(C1=CCC(C(C)(CC)NC(=C)NC)=C1)=C(C)C
InChIInChI=1S/C20H30N2/c1-8-10-11-19(15(3)4)17-12-13-18(14-17)20(6,9-2)22-16(5)21-7/h8,10-12,14,21-22H,1,5,9,13H2,2-4,6-7H3/b11-10-
InChIKeyGPFBPXJHQKKOMF-KHPPLWFESA-N
XLogP4.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine
CID 143831275
4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole
CID 121420144
4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole
CID 142833286
1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine;(E)-3-methylpent-2-ene
CID 145230157
(4S,6Z,8Z)-4,8-dimethyl-4-[(3E,5Z)-8-methyl-4-prop-1-en-2-ylnona-1,3,5,8-tetraen-3-yl]-1,2,3,5-tetrahydro-1,3-diazonine
CID 167065049
N,1-dimethyl-3-[(Z)-prop-1-enyl]-5-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-5,6-dihydroindol-2-amine
CID 170272173
1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine
CID 143359127
1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine
CID 145230158
4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
CID 175415825
N'-(4-but-1-en-2-ylcyclohexa-1,5-dien-1-yl)-N-methylmethanediamine
CID 178080661

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine (CID 145462330) is 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine is C=C/C=C\C(C1=CCC(C(C)(CC)NC(=C)NC)=C1)=C(C)C.
What is the InChIKey of 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine?
The InChIKey is GPFBPXJHQKKOMF-KHPPLWFESA-N. The full InChI is InChI=1S/C20H30N2/c1-8-10-11-19(15(3)4)17-12-13-18(14-17)20(6,9-2)22-16(5)21-7/h8,10-12,14,21-22H,1,5,9,13H2,2-4,6-7H3/b11-10-.
What are the key properties of 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine?
1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine has a molecular weight of 298.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine is sourced from PubChem (CID 145462330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).