N-tert-butyl-4-methylhex-1-en-2-amine

C11H23N — CID 164555319

IUPACN-tert-butyl-4-methylhex-1-en-2-amine
SMILESC=C(CC(C)CC)NC(C)(C)C
InChIInChI=1S/C11H23N/c1-7-9(2)8-10(3)12-11(4,5)6/h9,12H,3,7-8H2,1-2,4-6H3
InChIKeyOPAPQELRIZQGKF-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.32
Rot. Bonds4

About N-tert-butyl-4-methylhex-1-en-2-amine

N-tert-butyl-4-methylhex-1-en-2-amine (PubChem CID 164555319) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-tert-butyl-4-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methylhex-1-en-2-amine
PubChem CID164555319
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-tert-butyl-4-methylhex-1-en-2-amine
SMILESC=C(CC(C)CC)NC(C)(C)C
InChIInChI=1S/C11H23N/c1-7-9(2)8-10(3)12-11(4,5)6/h9,12H,3,7-8H2,1-2,4-6H3
InChIKeyOPAPQELRIZQGKF-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-4-methylhex-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylhex-1-en-2-amine?
The IUPAC name of N-tert-butyl-4-methylhex-1-en-2-amine (CID 164555319) is N-tert-butyl-4-methylhex-1-en-2-amine.
What is the SMILES notation for N-tert-butyl-4-methylhex-1-en-2-amine?
The canonical SMILES for N-tert-butyl-4-methylhex-1-en-2-amine is C=C(CC(C)CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylhex-1-en-2-amine?
The InChIKey is OPAPQELRIZQGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-9(2)8-10(3)12-11(4,5)6/h9,12H,3,7-8H2,1-2,4-6H3.
What are the key properties of N-tert-butyl-4-methylhex-1-en-2-amine?
N-tert-butyl-4-methylhex-1-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylhex-1-en-2-amine is sourced from PubChem (CID 164555319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).