1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine

C16H32N2 — CID 63878729

IUPAC1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)CC2CC2C)C1
InChIInChI=1S/C16H32N2/c1-12-7-15(3,4)10-16(8-12,11-17)18(5)9-14-6-13(14)2/h12-14H,6-11,17H2,1-5H3
InChIKeyBSIWKTQEPZAFOM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.12
Rot. Bonds4

About 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 63878729) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID63878729
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)CC2CC2C)C1
InChIInChI=1S/C16H32N2/c1-12-7-15(3,4)10-16(8-12,11-17)18(5)9-14-6-13(14)2/h12-14H,6-11,17H2,1-5H3
InChIKeyBSIWKTQEPZAFOM-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.12
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-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine (CID 63878729) is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine is CC1CC(C)(C)CC(CN)(N(C)CC2CC2C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is BSIWKTQEPZAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12-7-15(3,4)10-16(8-12,11-17)18(5)9-14-6-13(14)2/h12-14H,6-11,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.12, 4 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-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63878729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).