4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine

C15H31N3 — CID 121321911

IUPAC4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCCCNC2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h13-15,17-18H,1-12,16H2
InChIKeyXIVLUBFYZOUZEL-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.16
Rot. Bonds6

About 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine

4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine (PubChem CID 121321911) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
PubChem CID121321911
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCCCNC2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h13-15,17-18H,1-12,16H2
InChIKeyXIVLUBFYZOUZEL-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
CID 100984635
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N'-cycloundecylethane-1,2-diamine
CID 166845791
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359
4-N-[3-[[(Z)-4-methylpent-2-en-3-yl]amino]propyl]cyclohexane-1,4-diamine
CID 142067876
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
CID 86277360
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine (CID 121321911) is 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine is NC1CCC(NCCCNC2CCCCC2)CC1.
What is the InChIKey of 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine?
The InChIKey is XIVLUBFYZOUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h13-15,17-18H,1-12,16H2.
What are the key properties of 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine?
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine has a molecular weight of 253.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 121321911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).