3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine

C12H23N — CID 64595245

IUPAC3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1(N)CCCC(C2CC2)C1
InChIInChI=1S/C12H23N/c1-9(2)12(13)7-3-4-11(8-12)10-5-6-10/h9-11H,3-8,13H2,1-2H3
InChIKeyMBWBHLJBFWMNSR-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds2

About 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine

3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine (PubChem CID 64595245) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
PubChem CID64595245
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1(N)CCCC(C2CC2)C1
InChIInChI=1S/C12H23N/c1-9(2)12(13)7-3-4-11(8-12)10-5-6-10/h9-11H,3-8,13H2,1-2H3
InChIKeyMBWBHLJBFWMNSR-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-di(propan-2-yl)cycloheptan-1-amine
CID 65086898
3-cyclopropyl-1,1-difluorocyclohexane
CID 174758607
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
1-cyclopentyl-3-cyclopropylcyclohexan-1-amine
CID 64595261
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405
1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
CID 114416286
tricyclo[4.3.1.12,5]undecan-1-amine
CID 18965986

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine (CID 64595245) is 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine is CC(C)C1(N)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine?
The InChIKey is MBWBHLJBFWMNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12(13)7-3-4-11(8-12)10-5-6-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine?
3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64595245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).