1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine

C16H34N2 — CID 43571901

IUPAC1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CC(C)CC(C)(C)C1
InChIInChI=1S/C16H34N2/c1-7-8-14(3)18(6)16(12-17)10-13(2)9-15(4,5)11-16/h13-14H,7-12,17H2,1-6H3
InChIKeyYZMQBPFBDOCQQX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds5

About 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine (PubChem CID 43571901) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
PubChem CID43571901
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CC(C)CC(C)(C)C1
InChIInChI=1S/C16H34N2/c1-7-8-14(3)18(6)16(12-17)10-13(2)9-15(4,5)11-16/h13-14H,7-12,17H2,1-6H3
InChIKeyYZMQBPFBDOCQQX-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine (CID 43571901) is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine is CCCC(C)N(C)C1(CN)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine?
The InChIKey is YZMQBPFBDOCQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-14(3)18(6)16(12-17)10-13(2)9-15(4,5)11-16/h13-14H,7-12,17H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).