3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine

C16H34N2 — CID 12546507

IUPAC3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(C)NCC1(C)CC(NC(C)C)CC(C)(C)C1
InChIInChI=1S/C16H34N2/c1-12(2)17-11-16(7)9-14(18-13(3)4)8-15(5,6)10-16/h12-14,17-18H,8-11H2,1-7H3
InChIKeyIFJYEFKWFQAKDZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.57
Rot. Bonds5

About 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine

3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine (PubChem CID 12546507) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine
PubChem CID12546507
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(C)NCC1(C)CC(NC(C)C)CC(C)(C)C1
InChIInChI=1S/C16H34N2/c1-12(2)17-11-16(7)9-14(18-13(3)4)8-15(5,6)10-16/h12-14,17-18H,8-11H2,1-7H3
InChIKeyIFJYEFKWFQAKDZ-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 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 ≤ 53.57
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-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine (CID 12546507) is 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine is CC(C)NCC1(C)CC(NC(C)C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
The InChIKey is IFJYEFKWFQAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)17-11-16(7)9-14(18-13(3)4)8-15(5,6)10-16/h12-14,17-18H,8-11H2,1-7H3.
What are the key properties of 3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.57, 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-N-propan-2-yl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 12546507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).