4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine

C16H32N2 — CID 102628023

IUPAC4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CNCCCC2CC2)C1(C)C
InChIInChI=1S/C16H32N2/c1-12-15(17)9-8-14(16(12,2)3)11-18-10-4-5-13-6-7-13/h12-15,18H,4-11,17H2,1-3H3
InChIKeyHQIMLJRECCSAIX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.17
Rot. Bonds6

About 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102628023) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102628023
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CNCCCC2CC2)C1(C)C
InChIInChI=1S/C16H32N2/c1-12-15(17)9-8-14(16(12,2)3)11-18-10-4-5-13-6-7-13/h12-15,18H,4-11,17H2,1-3H3
InChIKeyHQIMLJRECCSAIX-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627692
2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
CID 102627895
2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627798
4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627905
2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627953
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
CID 98289832
4-[(heptan-2-ylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627751
4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627967
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
N-(3-cyclopropylpropyl)-2,2-dimethylpropan-1-amine
CID 115639400
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102628023) is 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CNCCCC2CC2)C1(C)C.
What is the InChIKey of 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is HQIMLJRECCSAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-15(17)9-8-14(16(12,2)3)11-18-10-4-5-13-6-7-13/h12-15,18H,4-11,17H2,1-3H3.
What are the key properties of 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).