N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine

C15H27N — CID 104854373

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2(C3CC3)CC2)CC1C
InChIInChI=1S/C15H27N/c1-11-3-6-14(9-12(11)2)16-10-15(7-8-15)13-4-5-13/h11-14,16H,3-10H2,1-2H3
InChIKeySMOUFDTXYXBGFY-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 104854373) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID104854373
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2(C3CC3)CC2)CC1C
InChIInChI=1S/C15H27N/c1-11-3-6-14(9-12(11)2)16-10-15(7-8-15)13-4-5-13/h11-14,16H,3-10H2,1-2H3
InChIKeySMOUFDTXYXBGFY-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-3-ethylcyclopentan-1-amine
CID 115757828
N-[(1-cyclopropylcyclopropyl)methyl]cycloheptanamine
CID 115757794
N-[(1-cyclopropylcyclopropyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 115895695
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499
4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499476
N-[(1-cyclopropylcyclopropyl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106813224
tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate
CID 102672640
(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 64745632
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264
1-cyclopropyl-N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-amine
CID 103904159

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 104854373) is N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCC2(C3CC3)CC2)CC1C.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is SMOUFDTXYXBGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-3-6-14(9-12(11)2)16-10-15(7-8-15)13-4-5-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104854373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).