N-but-3-enyl-2-methylhex-5-en-1-amine

C11H21N — CID 11367216

IUPACN-but-3-enyl-2-methylhex-5-en-1-amine
SMILESC=CCCNCC(C)CCC=C
InChIInChI=1S/C11H21N/c1-4-6-8-11(3)10-12-9-7-5-2/h4-5,11-12H,1-2,6-10H2,3H3
InChIKeyWGNQFVCAGLHLNZ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds8

About N-but-3-enyl-2-methylhex-5-en-1-amine

N-but-3-enyl-2-methylhex-5-en-1-amine (PubChem CID 11367216) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-but-3-enyl-2-methylhex-5-en-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-2-methylhex-5-en-1-amine
PubChem CID11367216
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-but-3-enyl-2-methylhex-5-en-1-amine
SMILESC=CCCNCC(C)CCC=C
InChIInChI=1S/C11H21N/c1-4-6-8-11(3)10-12-9-7-5-2/h4-5,11-12H,1-2,6-10H2,3H3
InChIKeyWGNQFVCAGLHLNZ-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Allylhex-5-en-1-amine
CID 11116144
N-butylpent-4-en-1-amine
CID 15570247
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
N,2,2-trimethylhex-5-en-1-amine
CID 12172227
N-Propylpent-4-en-1-amine
CID 12397189
(Hex-5-en-1-yl)(propyl)amine
CID 12397191
3-Vinylpiperidine
CID 10996985
2-Ethenylhexan-1-amine
CID 13756234
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine
CID 155741615
2-(2-ethylbut-3-enyl)-N-(3-fluoropropyl)-N'-methylpropane-1,3-diamine
CID 166992031

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-methylhex-5-en-1-amine?
The IUPAC name of N-but-3-enyl-2-methylhex-5-en-1-amine (CID 11367216) is N-but-3-enyl-2-methylhex-5-en-1-amine.
What is the SMILES notation for N-but-3-enyl-2-methylhex-5-en-1-amine?
The canonical SMILES for N-but-3-enyl-2-methylhex-5-en-1-amine is C=CCCNCC(C)CCC=C.
What is the InChIKey of N-but-3-enyl-2-methylhex-5-en-1-amine?
The InChIKey is WGNQFVCAGLHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-8-11(3)10-12-9-7-5-2/h4-5,11-12H,1-2,6-10H2,3H3.
What are the key properties of N-but-3-enyl-2-methylhex-5-en-1-amine?
N-but-3-enyl-2-methylhex-5-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-methylhex-5-en-1-amine is sourced from PubChem (CID 11367216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).