4-N-(6-aminohexyl)benzene-1,4-diamine

C12H21N3 — CID 150601904

IUPAC4-N-(6-aminohexyl)benzene-1,4-diamine
SMILESNCCCCCCNc1ccc(N)cc1
InChIInChI=1S/C12H21N3/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8,15H,1-4,9-10,13-14H2
InChIKeyISBALQKWPQDBRA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.20
Rot. Bonds7

About 4-N-(6-aminohexyl)benzene-1,4-diamine

4-N-(6-aminohexyl)benzene-1,4-diamine (PubChem CID 150601904) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-(6-aminohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-aminohexyl)benzene-1,4-diamine
PubChem CID150601904
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-(6-aminohexyl)benzene-1,4-diamine
SMILESNCCCCCCNc1ccc(N)cc1
InChIInChI=1S/C12H21N3/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8,15H,1-4,9-10,13-14H2
InChIKeyISBALQKWPQDBRA-UHFFFAOYSA-N
XLogP2.20
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
N'-phenylheptane-1,7-diamine
CID 61149618
benzene-1,4-diamine;dodecane-1,12-diamine
CID 159242261
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
4-N-(7-methylsulfonylheptyl)benzene-1,4-diamine
CID 139472179
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N-[2-(4-aminoanilino)ethyl]-2,2,2-trifluoroacetamide;N-[6-(4-aminoanilino)hexyl]-2,2,2-trifluoroacetamide
CID 159031605
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-aminohexyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(6-aminohexyl)benzene-1,4-diamine (CID 150601904) is 4-N-(6-aminohexyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-aminohexyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(6-aminohexyl)benzene-1,4-diamine is NCCCCCCNc1ccc(N)cc1.
What is the InChIKey of 4-N-(6-aminohexyl)benzene-1,4-diamine?
The InChIKey is ISBALQKWPQDBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8,15H,1-4,9-10,13-14H2.
What are the key properties of 4-N-(6-aminohexyl)benzene-1,4-diamine?
4-N-(6-aminohexyl)benzene-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-aminohexyl)benzene-1,4-diamine is sourced from PubChem (CID 150601904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).