(Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine

C12H23N — CID 174249380

IUPAC(Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine
SMILESC=CN(/C=C\CCCC)C(C)(C)C
InChIInChI=1S/C12H23N/c1-6-8-9-10-11-13(7-2)12(3,4)5/h7,10-11H,2,6,8-9H2,1,3-5H3/b11-10-
InChIKeyLXPGJBQOVPVXHT-KHPPLWFESA-N
MW181.32 g/mol
LogP3.93
Rot. Bonds5

About (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine

(Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine (PubChem CID 174249380) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine
PubChem CID174249380
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine
SMILESC=CN(/C=C\CCCC)C(C)(C)C
InChIInChI=1S/C12H23N/c1-6-8-9-10-11-13(7-2)12(3,4)5/h7,10-11H,2,6,8-9H2,1,3-5H3/b11-10-
InChIKeyLXPGJBQOVPVXHT-KHPPLWFESA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-N-tert-butyl-N-ethenylhex-1-en-1-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 (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine (CID 174249380) is (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine is C=CN(/C=C\CCCC)C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine?
The InChIKey is LXPGJBQOVPVXHT-KHPPLWFESA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-9-10-11-13(7-2)12(3,4)5/h7,10-11H,2,6,8-9H2,1,3-5H3/b11-10-.
What are the key properties of (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine?
(Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-N-ethenylhex-1-en-1-amine is sourced from PubChem (CID 174249380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).