N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine

C25H44N2 — CID 135014794

IUPACN-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine
SMILESCCCCCC/N=C(/c1ccccc1)C(CC)C(CC)NCCCCCC
InChIInChI=1S/C25H44N2/c1-5-9-11-16-20-26-24(8-4)23(7-3)25(22-18-14-13-15-19-22)27-21-17-12-10-6-2/h13-15,18-19,23-24,26H,5-12,16-17,20-21H2,1-4H3/b27-25-
InChIKeyROBDNFRXVYCUGX-RFBIWTDZSA-N
MW372.64 g/mol
LogP7.03
Rot. Bonds16

About N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine

N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine (PubChem CID 135014794) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine.

Molecular Properties

Compound NameN-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine
PubChem CID135014794
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC NameN-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine
SMILESCCCCCC/N=C(/c1ccccc1)C(CC)C(CC)NCCCCCC
InChIInChI=1S/C25H44N2/c1-5-9-11-16-20-26-24(8-4)23(7-3)25(22-18-14-13-15-19-22)27-21-17-12-10-6-2/h13-15,18-19,23-24,26H,5-12,16-17,20-21H2,1-4H3/b27-25-
InChIKeyROBDNFRXVYCUGX-RFBIWTDZSA-N
XLogP7.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2S)-1-N-[(2R)-3-methyl-1-(methylamino)butan-2-yl]-2-N-(4-phenylbutyl)pentane-1,2-diamine
CID 24792587
3-Hexanimine, 5-(N,N-dimethylamino)methyl-4,4-diphenyl-, hydrochloride
CID 21434
(1-Phenylpentan-2-yl)(propyl)amine
CID 10262369
(2S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,2,5-triamine
CID 130367922
(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine
CID 130367923
1-Isoquinolineethanamine, 3,4-dihydro-N-cyclohexyl-3,3-dimethyl-, dihydrochloride
CID 3079745
2,3-Diphenyl-1,4,8-triazaspiro(4.5)deca-1,3-diene
CID 45598110
Ethyl(1-phenylpentan-2-yl)amine
CID 60819355
1-cyclohexyl-N-(2-phenylethyl)pentan-2-amine
CID 172445200
1-cyclopropyl-N-(2-phenylethyl)pentan-2-amine
CID 172447402
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-2-amine
CID 172452727
N-(2-phenylethyl)undecan-4-amine
CID 172459671

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine?
The IUPAC name of N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine (CID 135014794) is N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine.
What is the SMILES notation for N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine?
The canonical SMILES for N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine is CCCCCC/N=C(/c1ccccc1)C(CC)C(CC)NCCCCCC.
What is the InChIKey of N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine?
The InChIKey is ROBDNFRXVYCUGX-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H44N2/c1-5-9-11-16-20-26-24(8-4)23(7-3)25(22-18-14-13-15-19-22)27-21-17-12-10-6-2/h13-15,18-19,23-24,26H,5-12,16-17,20-21H2,1-4H3/b27-25-.
What are the key properties of N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine?
N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine has a molecular weight of 372.64 g/mol, XLogP of 7.03, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(N-hexyl-C-phenylcarbonimidoyl)hexan-3-amine is sourced from PubChem (CID 135014794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).