4-N-benzyl-4-N-propylcyclohexane-1,4-diamine

C16H26N2 — CID 79112362

IUPAC4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C16H26N2/c1-2-12-18(13-14-6-4-3-5-7-14)16-10-8-15(17)9-11-16/h3-7,15-16H,2,8-13,17H2,1H3
InChIKeyFUPIXIWCTOPCSX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds5

About 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine

4-N-benzyl-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112362) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112362
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C16H26N2/c1-2-12-18(13-14-6-4-3-5-7-14)16-10-8-15(17)9-11-16/h3-7,15-16H,2,8-13,17H2,1H3
InChIKeyFUPIXIWCTOPCSX-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027
4-N-[(3,5-dichlorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112363
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
4-N-(3-phenylprop-2-ynyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111804
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
4-N-[(3-chloro-5-fluorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 114453799
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79117519
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111703

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine (CID 79112362) is 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine is CCCN(Cc1ccccc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is FUPIXIWCTOPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-12-18(13-14-6-4-3-5-7-14)16-10-8-15(17)9-11-16/h3-7,15-16H,2,8-13,17H2,1H3.
What are the key properties of 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine?
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).