N-[(E)-but-2-enyl]-3-ethylpentan-2-amine

C11H23N — CID 104578151

IUPACN-[(E)-but-2-enyl]-3-ethylpentan-2-amine
SMILESC/C=C/CNC(C)C(CC)CC
InChIInChI=1S/C11H23N/c1-5-8-9-12-10(4)11(6-2)7-3/h5,8,10-12H,6-7,9H2,1-4H3/b8-5+
InChIKeyUFNPBPWPQMVNPV-VMPITWQZSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About N-[(E)-but-2-enyl]-3-ethylpentan-2-amine

N-[(E)-but-2-enyl]-3-ethylpentan-2-amine (PubChem CID 104578151) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-ethylpentan-2-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-ethylpentan-2-amine
PubChem CID104578151
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-[(E)-but-2-enyl]-3-ethylpentan-2-amine
SMILESC/C=C/CNC(C)C(CC)CC
InChIInChI=1S/C11H23N/c1-5-8-9-12-10(4)11(6-2)7-3/h5,8,10-12H,6-7,9H2,1-4H3/b8-5+
InChIKeyUFNPBPWPQMVNPV-VMPITWQZSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
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

(Z)-4-(3-ethylpentan-2-ylamino)-2-methylbut-2-enoic acid
CID 103250727
ethyl 2-[[(E)-but-2-enyl]amino]propanoate
CID 10866780
N-[(E)-but-2-enyl]-1-chloropentan-3-amine
CID 107897783
2-[[(E)-but-2-enyl]amino]propanenitrile
CID 55286362
5-ethyl-6-methylhept-2-ene
CID 54081587
(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
CID 171800093
3-ethyl-N-(3-ethylpentan-2-yl)pentan-2-amine
CID 87914050
4-bromo-N-[(E)-but-2-enyl]pentan-2-amine
CID 107897766
3-[[(E)-but-2-enyl]amino]-2-methylbutan-2-ol
CID 131248330
N-(2,2-dimethylpropyl)-3-ethylpentan-2-amine
CID 63842619
N-but-2-ynyl-3-ethylpentan-2-amine
CID 63836344
3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine
CID 114449141

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-ethylpentan-2-amine?
The IUPAC name of N-[(E)-but-2-enyl]-3-ethylpentan-2-amine (CID 104578151) is N-[(E)-but-2-enyl]-3-ethylpentan-2-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-ethylpentan-2-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-3-ethylpentan-2-amine is C/C=C/CNC(C)C(CC)CC.
What is the InChIKey of N-[(E)-but-2-enyl]-3-ethylpentan-2-amine?
The InChIKey is UFNPBPWPQMVNPV-VMPITWQZSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-9-12-10(4)11(6-2)7-3/h5,8,10-12H,6-7,9H2,1-4H3/b8-5+.
What are the key properties of N-[(E)-but-2-enyl]-3-ethylpentan-2-amine?
N-[(E)-but-2-enyl]-3-ethylpentan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-ethylpentan-2-amine is sourced from PubChem (CID 104578151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).