1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine

C17H36N2 — CID 102912648

IUPAC1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
SMILESCC(C)C(CNC1(CN)CCC(C)C(C)C1)C(C)C
InChIInChI=1S/C17H36N2/c1-12(2)16(13(3)4)10-19-17(11-18)8-7-14(5)15(6)9-17/h12-16,19H,7-11,18H2,1-6H3
InChIKeyRGCSMQJAOFRSTH-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.66
Rot. Bonds6

About 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine

1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine (PubChem CID 102912648) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
PubChem CID102912648
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
SMILESCC(C)C(CNC1(CN)CCC(C)C(C)C1)C(C)C
InChIInChI=1S/C17H36N2/c1-12(2)16(13(3)4)10-19-17(11-18)8-7-14(5)15(6)9-17/h12-16,19H,7-11,18H2,1-6H3
InChIKeyRGCSMQJAOFRSTH-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine (CID 102912648) is 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine is CC(C)C(CNC1(CN)CCC(C)C(C)C1)C(C)C.
What is the InChIKey of 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
The InChIKey is RGCSMQJAOFRSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-12(2)16(13(3)4)10-19-17(11-18)8-7-14(5)15(6)9-17/h12-16,19H,7-11,18H2,1-6H3.
What are the key properties of 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine?
1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 102912648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).