N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine

C11H21N — CID 123847432

IUPACN,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
SMILESC=CCC(C)C(=C)N(C)C(C)C
InChIInChI=1S/C11H21N/c1-7-8-10(4)11(5)12(6)9(2)3/h7,9-10H,1,5,8H2,2-4,6H3
InChIKeyBNCZZFUKWRQGMR-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.05
Rot. Bonds5

About N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine

N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine (PubChem CID 123847432) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
PubChem CID123847432
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
SMILESC=CCC(C)C(=C)N(C)C(C)C
InChIInChI=1S/C11H21N/c1-7-8-10(4)11(5)12(6)9(2)3/h7,9-10H,1,5,8H2,2-4,6H3
InChIKeyBNCZZFUKWRQGMR-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-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

Related Compounds

3-methyl-2-(3-methylhexa-1,5-dien-2-yloxy)hexa-1,5-diene
CID 23092200
2-methyl-N,N-di(propan-2-yl)pent-4-enamide
CID 13197575
2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene
CID 166848470
bis[di(propan-2-yl)amino]-hydroxy-prop-2-enylphosphanium
CID 125130000
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
2,2,4-trimethylhept-6-en-3-one
CID 130027108
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
azane;pent-4-en-2-ol
CID 22149561
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
N,N-dimethyl-2-propan-2-ylpent-4-en-1-amine
CID 146560715

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine?
The IUPAC name of N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine (CID 123847432) is N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine is C=CCC(C)C(=C)N(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine?
The InChIKey is BNCZZFUKWRQGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-7-8-10(4)11(5)12(6)9(2)3/h7,9-10H,1,5,8H2,2-4,6H3.
What are the key properties of N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine?
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine is sourced from PubChem (CID 123847432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).