3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine

C16H34N2 — CID 15430966

IUPAC3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(C)CC(C)NCC1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C16H34N2/c1-12(2)7-13(3)18-11-16(6)9-14(17)8-15(4,5)10-16/h12-14,18H,7-11,17H2,1-6H3
InChIKeyNPJFTWCMRMDESL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.55
Rot. Bonds5

About 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine

3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine (PubChem CID 15430966) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine
PubChem CID15430966
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(C)CC(C)NCC1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C16H34N2/c1-12(2)7-13(3)18-11-16(6)9-14(17)8-15(4,5)10-16/h12-14,18H,7-11,17H2,1-6H3
InChIKeyNPJFTWCMRMDESL-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine (CID 15430966) is 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine is CC(C)CC(C)NCC1(C)CC(N)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine?
The InChIKey is NPJFTWCMRMDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)7-13(3)18-11-16(6)9-14(17)8-15(4,5)10-16/h12-14,18H,7-11,17H2,1-6H3.
What are the key properties of 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 15430966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).