1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine

C14H27N3 — CID 145230158

IUPAC1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine
SMILESC=C(/C=C\C)CC(C)(C)NC(=C)NCCNC
InChIInChI=1S/C14H27N3/c1-7-8-12(2)11-14(4,5)17-13(3)16-10-9-15-6/h7-8,15-17H,2-3,9-11H2,1,4-6H3/b8-7-
InChIKeyNSRTXMLHCANTCP-FPLPWBNLSA-N
MW237.39 g/mol
LogP2.16
Rot. Bonds9

About 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine

1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine (PubChem CID 145230158) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine
PubChem CID145230158
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine
SMILESC=C(/C=C\C)CC(C)(C)NC(=C)NCCNC
InChIInChI=1S/C14H27N3/c1-7-8-12(2)11-14(4,5)17-13(3)16-10-9-15-6/h7-8,15-17H,2-3,9-11H2,1,4-6H3/b8-7-
InChIKeyNSRTXMLHCANTCP-FPLPWBNLSA-N
XLogP2.16
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-3-methylhex-1-enyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 130462380
1-N-[(Z)-5-methyl-4-[(Z)-prop-1-enyl]oct-4-en-2-yl]-1-N'-prop-1-en-2-ylethene-1,1-diamine
CID 135269084
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
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
1-N'-[(3E,5Z)-3-methylocta-3,5,7-trienyl]-1-N-propylethene-1,1-diamine
CID 166873985
1-(1-Cyclohexa-1,5-dien-1-yl-2-methylpropan-2-yl)imidazolidine
CID 143655632

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine?
The IUPAC name of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine (CID 145230158) is 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine is C=C(/C=C\C)CC(C)(C)NC(=C)NCCNC.
What is the InChIKey of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine?
The InChIKey is NSRTXMLHCANTCP-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-8-12(2)11-14(4,5)17-13(3)16-10-9-15-6/h7-8,15-17H,2-3,9-11H2,1,4-6H3/b8-7-.
What are the key properties of 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine?
1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(methylamino)ethyl]-1-N'-[(Z)-2-methyl-4-methylidenehept-5-en-2-yl]ethene-1,1-diamine is sourced from PubChem (CID 145230158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).