N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine

C15H31N — CID 166734510

IUPACN-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine
SMILESC=C(N(C)CC(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N/c1-12(13(2,3)4)16(10)11-15(8,9)14(5,6)7/h1,11H2,2-10H3
InChIKeyMZODSBKGMJCDAA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.55
Rot. Bonds3

About N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine

N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine (PubChem CID 166734510) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine
PubChem CID166734510
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine
SMILESC=C(N(C)CC(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N/c1-12(13(2,3)4)16(10)11-15(8,9)14(5,6)7/h1,11H2,2-10H3
InChIKeyMZODSBKGMJCDAA-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-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

Related Compounds

N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine
CID 174112129
2-bromo-N,N,2-trimethylpropan-1-amine
CID 138664170
N-ethyl-N,3,3-trimethylhex-1-en-2-amine
CID 175613081
2,2,3,5,5-pentamethyl-4-methylidenehexan-3-ol
CID 121007069
3-[2-carboxyethyl(2,2,3,3-tetramethylbutyl)amino]propanoic acid
CID 171658898
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
2,5,5,6,6-pentamethylhept-1-en-3-one
CID 130257344
3,3,4,4-tetramethylpent-1-en-2-ol
CID 89381848
2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine
CID 123645048
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine
CID 159941640

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine (CID 166734510) is N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine is C=C(N(C)CC(C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine?
The InChIKey is MZODSBKGMJCDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(13(2,3)4)16(10)11-15(8,9)14(5,6)7/h1,11H2,2-10H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine?
N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine is sourced from PubChem (CID 166734510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).