N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine

C13H25N — CID 123604365

IUPACN-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine
SMILESC=CC(C)NC(CC=C(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-7-12(6)14-13(11(4)5)9-8-10(2)3/h7-8,11-14H,1,9H2,2-6H3
InChIKeyOZQLFQJRHHUTAN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.53
Rot. Bonds6

About N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine

N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine (PubChem CID 123604365) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine
PubChem CID123604365
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine
SMILESC=CC(C)NC(CC=C(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-7-12(6)14-13(11(4)5)9-8-10(2)3/h7-8,11-14H,1,9H2,2-6H3
InChIKeyOZQLFQJRHHUTAN-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5,8-trimethylnona-1,7-diene
CID 123488814
N-but-3-en-2-ylhydroxylamine
CID 18467379
N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine
CID 142516578
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
7-methyl-3-propan-2-ylocta-1,6-diene
CID 59961464
N,N-diethyl-6-methylhepta-1,5-dien-3-amine
CID 142113031
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
2,6-dimethylocta-1,3,7-triene
CID 522318
2,6-dimethyl-5-methylidenehept-2-ene
CID 86124374
2,5-dimethylhept-2-ene;ethane
CID 144650208

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine?
The IUPAC name of N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine (CID 123604365) is N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine.
What is the SMILES notation for N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine?
The canonical SMILES for N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine is C=CC(C)NC(CC=C(C)C)C(C)C.
What is the InChIKey of N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine?
The InChIKey is OZQLFQJRHHUTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-7-12(6)14-13(11(4)5)9-8-10(2)3/h7-8,11-14H,1,9H2,2-6H3.
What are the key properties of N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine?
N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine is sourced from PubChem (CID 123604365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).