N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine

C13H25N — CID 141178158

IUPACN,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine
SMILESC=CCN(C)C(C(=C)C(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-8-9-14(7)13(11(4)5)12(6)10(2)3/h8,10-11,13H,1,6,9H2,2-5,7H3
InChIKeyDXNZXQCKDNTDHH-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds6

About N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine

N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine (PubChem CID 141178158) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine
PubChem CID141178158
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine
SMILESC=CCN(C)C(C(=C)C(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-8-9-14(7)13(11(4)5)12(6)10(2)3/h8,10-11,13H,1,6,9H2,2-5,7H3
InChIKeyDXNZXQCKDNTDHH-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-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

1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
CID 173390192
(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
CID 171624070
N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
CID 141178163
N-propan-2-yl-N-prop-2-enylpropan-2-amine
CID 558736
azane;N,N-dimethylprop-2-en-1-amine
CID 87892299
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
(3R)-2,3,5-trimethyl-4-methylidenehexane
CID 58859453
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
CID 87069649
propan-2-yl N-methyl-N-prop-2-enylcarbamate
CID 116657045
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 3066892
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968
2-bromo-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 13113536

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine?
The IUPAC name of N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine (CID 141178158) is N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine.
What is the SMILES notation for N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine?
The canonical SMILES for N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine is C=CCN(C)C(C(=C)C(C)C)C(C)C.
What is the InChIKey of N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine?
The InChIKey is DXNZXQCKDNTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8-9-14(7)13(11(4)5)12(6)10(2)3/h8,10-11,13H,1,6,9H2,2-5,7H3.
What are the key properties of N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine?
N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine is sourced from PubChem (CID 141178158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).