N-tert-butyl-N,2-dimethylcyclohexan-1-amine

C12H25N — CID 139320124

IUPACN-tert-butyl-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-10-8-6-7-9-11(10)13(5)12(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyYUISEYLFBZPWQP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds1

About N-tert-butyl-N,2-dimethylcyclohexan-1-amine

N-tert-butyl-N,2-dimethylcyclohexan-1-amine (PubChem CID 139320124) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-tert-butyl-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N,2-dimethylcyclohexan-1-amine
PubChem CID139320124
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-tert-butyl-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-10-8-6-7-9-11(10)13(5)12(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyYUISEYLFBZPWQP-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-tert-butyl-N,2-dimethylcyclohexan-1-amine (CID 139320124) is N-tert-butyl-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2-dimethylcyclohexan-1-amine?
The InChIKey is YUISEYLFBZPWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10-8-6-7-9-11(10)13(5)12(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-N,2-dimethylcyclohexan-1-amine?
N-tert-butyl-N,2-dimethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 139320124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).