3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine

C16H31N — CID 79353545

IUPAC3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C16H31N/c1-14(2)9-7-8-12(10-14)17-11-13-15(3,4)16(13,5)6/h12-13,17H,7-11H2,1-6H3
InChIKeyYLEXNUJRFVXHOR-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds3

About 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine

3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 79353545) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID79353545
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C16H31N/c1-14(2)9-7-8-12(10-14)17-11-13-15(3,4)16(13,5)6/h12-13,17H,7-11H2,1-6H3
InChIKeyYLEXNUJRFVXHOR-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine (CID 79353545) is 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine is CC1(C)CCCC(NCC2C(C)(C)C2(C)C)C1.
What is the InChIKey of 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is YLEXNUJRFVXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-14(2)9-7-8-12(10-14)17-11-13-15(3,4)16(13,5)6/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine?
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79353545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).