N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine

C18H25N3 — CID 141103654

IUPACN'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine
SMILESC1=CCC(NCCCNCC2=NC3=CCCCC3=C2)C=C1
InChIInChI=1S/C18H25N3/c1-2-8-16(9-3-1)20-12-6-11-19-14-17-13-15-7-4-5-10-18(15)21-17/h1-3,8,10,13,16,19-20H,4-7,9,11-12,14H2
InChIKeyPSFQVVNGPNXJDH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.89
Rot. Bonds7

About N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine

N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine (PubChem CID 141103654) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine
PubChem CID141103654
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine
SMILESC1=CCC(NCCCNCC2=NC3=CCCCC3=C2)C=C1
InChIInChI=1S/C18H25N3/c1-2-8-16(9-3-1)20-12-6-11-19-14-17-13-15-7-4-5-10-18(15)21-17/h1-3,8,10,13,16,19-20H,4-7,9,11-12,14H2
InChIKeyPSFQVVNGPNXJDH-UHFFFAOYSA-N
XLogP2.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-1h-pyrido[4,3-b]indole
CID 56981217
Tetrahydropyrrolocarbazole
CID 88019937
3-[3-[[4-(2-aminoethyl)-1-methyl-7aH-pyrazolo[4,3-c]pyridin-2-yl]methyl]-1,2-dihydropyridin-6-yl]-N-fluoropropan-1-amine
CID 132195040
Hexahydroazonino[5,6-b]indole
CID 129799442
Hexahydro 5h dibenzo[b,e][1,4]diazepine
CID 129815461
Hexahydro-1h-azocino[4,3-b]indole
CID 129891720
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480
2,3,4,6-tetrahydro-1H-pyrido[3,4-b]indole
CID 22132283

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine (CID 141103654) is N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine is C1=CCC(NCCCNCC2=NC3=CCCCC3=C2)C=C1.
What is the InChIKey of N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine?
The InChIKey is PSFQVVNGPNXJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-8-16(9-3-1)20-12-6-11-19-14-17-13-15-7-4-5-10-18(15)21-17/h1-3,8,10,13,16,19-20H,4-7,9,11-12,14H2.
What are the key properties of N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine?
N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine has a molecular weight of 283.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexa-2,4-dien-1-yl-N-(5,6-dihydro-4H-indol-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 141103654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).