6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine

C20H34N4 — CID 59344399

IUPAC6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
SMILESNCCCCCC/N=C/c1ccc(/C=N/CCCCCCN)cc1
InChIInChI=1S/C20H34N4/c21-13-5-1-3-7-15-23-17-19-9-11-20(12-10-19)18-24-16-8-4-2-6-14-22/h9-12,17-18H,1-8,13-16,21-22H2/b23-17+,24-18+
InChIKeyYVQLYTYVVDWSEC-GJHDBBOXSA-N
MW330.52 g/mol
LogP3.56
Rot. Bonds14

About 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine

6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine (PubChem CID 59344399) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine.

Molecular Properties

Compound Name6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
PubChem CID59344399
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
SMILESNCCCCCC/N=C/c1ccc(/C=N/CCCCCCN)cc1
InChIInChI=1S/C20H34N4/c21-13-5-1-3-7-15-23-17-19-9-11-20(12-10-19)18-24-16-8-4-2-6-14-22/h9-12,17-18H,1-8,13-16,21-22H2/b23-17+,24-18+
InChIKeyYVQLYTYVVDWSEC-GJHDBBOXSA-N
XLogP3.56
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390
2-[(4-bromophenyl)methylideneamino]ethanamine
CID 141259105
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
CID 3771816

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine?
The IUPAC name of 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine (CID 59344399) is 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine.
What is the SMILES notation for 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine?
The canonical SMILES for 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine is NCCCCCC/N=C/c1ccc(/C=N/CCCCCCN)cc1.
What is the InChIKey of 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine?
The InChIKey is YVQLYTYVVDWSEC-GJHDBBOXSA-N. The full InChI is InChI=1S/C20H34N4/c21-13-5-1-3-7-15-23-17-19-9-11-20(12-10-19)18-24-16-8-4-2-6-14-22/h9-12,17-18H,1-8,13-16,21-22H2/b23-17+,24-18+.
What are the key properties of 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine?
6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 3.56, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine is sourced from PubChem (CID 59344399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).