N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine

C13H27N — CID 145355683

IUPACN-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine
SMILESC/C=C(\C)CN(CC)CCC(C)CC
InChIInChI=1S/C13H27N/c1-6-12(4)9-10-14(8-3)11-13(5)7-2/h7,12H,6,8-11H2,1-5H3/b13-7+
InChIKeyYILUBIGINHESMT-NTUHNPAUSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds7

About N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine

N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine (PubChem CID 145355683) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine
PubChem CID145355683
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine
SMILESC/C=C(\C)CN(CC)CCC(C)CC
InChIInChI=1S/C13H27N/c1-6-12(4)9-10-14(8-3)11-13(5)7-2/h7,12H,6,8-11H2,1-5H3/b13-7+
InChIKeyYILUBIGINHESMT-NTUHNPAUSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
CID 145355662
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
6-(diethylamino)-4-methylhexanoic acid
CID 79695206
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine (CID 145355683) is N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine is C/C=C(\C)CN(CC)CCC(C)CC.
What is the InChIKey of N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine?
The InChIKey is YILUBIGINHESMT-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H27N/c1-6-12(4)9-10-14(8-3)11-13(5)7-2/h7,12H,6,8-11H2,1-5H3/b13-7+.
What are the key properties of N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine?
N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine is sourced from PubChem (CID 145355683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).