1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine

C15H32N2 — CID 79074662

IUPAC1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(C(C)(C)C)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-12-8-10-15(11-9-12,17(6)7)13(16-5)14(2,3)4/h12-13,16H,8-11H2,1-7H3
InChIKeyGKXANDSGYYHIQU-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds3

About 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine

1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79074662) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79074662
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(C(C)(C)C)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-12-8-10-15(11-9-12,17(6)7)13(16-5)14(2,3)4/h12-13,16H,8-11H2,1-7H3
InChIKeyGKXANDSGYYHIQU-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79074662) is 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine is CNC(C(C)(C)C)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is GKXANDSGYYHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12-8-10-15(11-9-12,17(6)7)13(16-5)14(2,3)4/h12-13,16H,8-11H2,1-7H3.
What are the key properties of 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-1-(methylamino)propyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).