N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine

C13H25N — CID 155468081

IUPACN-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
SMILESC=C(CC)NC(CC)C(=C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-8-10(3)14-12(9-2)11(4)13(5,6)7/h12,14H,3-4,8-9H2,1-2,5-7H3
InChIKeyIEMOPFKTFIKGLU-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.88
Rot. Bonds5

About N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine

N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine (PubChem CID 155468081) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
PubChem CID155468081
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
SMILESC=C(CC)NC(CC)C(=C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-8-10(3)14-12(9-2)11(4)13(5,6)7/h12,14H,3-4,8-9H2,1-2,5-7H3
InChIKeyIEMOPFKTFIKGLU-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.88
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

(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol
CID 121345273
2,2-dimethyl-3-methylidenepentane;ethene
CID 145286133
1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine
CID 146392587
N-but-1-en-2-yl-2-methylbutan-2-amine
CID 147849080
(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine
CID 170179650
3-ethyl-2,3,5-trimethyl-4-methylideneheptane
CID 123873346
5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 155468092
4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
CID 166719655
N-tert-butyl-4-methylideneheptan-3-amine
CID 166838198
toluene;2,2,4-trimethyl-3-methylidenehexane
CID 143153618
3-(hex-1-en-2-ylamino)heptan-4-one
CID 129043432

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine?
The IUPAC name of N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine (CID 155468081) is N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine.
What is the SMILES notation for N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine?
The canonical SMILES for N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine is C=C(CC)NC(CC)C(=C)C(C)(C)C.
What is the InChIKey of N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine?
The InChIKey is IEMOPFKTFIKGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8-10(3)14-12(9-2)11(4)13(5,6)7/h12,14H,3-4,8-9H2,1-2,5-7H3.
What are the key properties of N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine?
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine is sourced from PubChem (CID 155468081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).