1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine

C12H24N2 — CID 79468427

IUPAC1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
SMILESCCCN(C1CC1)C1CCCC(N)C1
InChIInChI=1S/C12H24N2/c1-2-8-14(11-6-7-11)12-5-3-4-10(13)9-12/h10-12H,2-9,13H2,1H3
InChIKeyLEBKZKBZCCLGSB-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.13
Rot. Bonds4

About 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine

1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine (PubChem CID 79468427) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
PubChem CID79468427
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
SMILESCCCN(C1CC1)C1CCCC(N)C1
InChIInChI=1S/C12H24N2/c1-2-8-14(11-6-7-11)12-5-3-4-10(13)9-12/h10-12H,2-9,13H2,1H3
InChIKeyLEBKZKBZCCLGSB-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
CID 79469660
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
CID 63045600
1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
CID 79467774
N-(4-methylcycloheptyl)-N-propylazetidin-3-amine
CID 66182876
N-cycloheptyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232838
3-N-cyclopropyl-3-N-(2-methylpropyl)cyclopentane-1,3-diamine
CID 79468759
N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
trans-(1R,2R)-2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 102734359
2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 60886759

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine (CID 79468427) is 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine is CCCN(C1CC1)C1CCCC(N)C1.
What is the InChIKey of 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine?
The InChIKey is LEBKZKBZCCLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-8-14(11-6-7-11)12-5-3-4-10(13)9-12/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine?
1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 79468427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).