(Z)-N-ethylbut-2-en-1-amine;2-methylpropane

C10H23N — CID 171800093

IUPAC(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
SMILESC/C=C\CNCC.CC(C)C
InChIInChI=1S/C6H13N.C4H10/c1-3-5-6-7-4-2;1-4(2)3/h3,5,7H,4,6H2,1-2H3;4H,1-3H3/b5-3-;
InChIKeyWQNHFZUPKWTIAS-FBZPGIPVSA-N
MW157.30 g/mol
LogP2.83
Rot. Bonds3

About (Z)-N-ethylbut-2-en-1-amine;2-methylpropane

(Z)-N-ethylbut-2-en-1-amine;2-methylpropane (PubChem CID 171800093) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (Z)-N-ethylbut-2-en-1-amine;2-methylpropane.

Molecular Properties

Compound Name(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
PubChem CID171800093
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
SMILESC/C=C\CNCC.CC(C)C
InChIInChI=1S/C6H13N.C4H10/c1-3-5-6-7-4-2;1-4(2)3/h3,5,7H,4,6H2,1-2H3;4H,1-3H3/b5-3-;
InChIKeyWQNHFZUPKWTIAS-FBZPGIPVSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.83
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-ethylbut-2-en-1-amine;hydrochloride
CID 155653042
N,4-diethylhex-2-en-1-amine
CID 79347453
2-[[(E)-but-2-enyl]amino]acetaldehyde
CID 173274411
(Z)-4-(ethylamino)but-2-en-1-ol
CID 55287982
N-[(E)-but-2-enyl]-3-ethylpentan-2-amine
CID 104578151
(E)-N-ethylpent-3-en-1-amine;hydrochloride
CID 155386330
N-ethyl-3-methylsulfanylprop-2-en-1-amine
CID 91016985
(E)-N-(2-bromoethyl)but-2-en-1-amine
CID 107897799
3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 107899064
(2S)-3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 131247473
(Z)-N-(2-ethoxyethyl)but-2-en-1-amine
CID 143071709
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylbut-2-en-1-amine;2-methylpropane?
The IUPAC name of (Z)-N-ethylbut-2-en-1-amine;2-methylpropane (CID 171800093) is (Z)-N-ethylbut-2-en-1-amine;2-methylpropane.
What is the SMILES notation for (Z)-N-ethylbut-2-en-1-amine;2-methylpropane?
The canonical SMILES for (Z)-N-ethylbut-2-en-1-amine;2-methylpropane is C/C=C\CNCC.CC(C)C.
What is the InChIKey of (Z)-N-ethylbut-2-en-1-amine;2-methylpropane?
The InChIKey is WQNHFZUPKWTIAS-FBZPGIPVSA-N. The full InChI is InChI=1S/C6H13N.C4H10/c1-3-5-6-7-4-2;1-4(2)3/h3,5,7H,4,6H2,1-2H3;4H,1-3H3/b5-3-;.
What are the key properties of (Z)-N-ethylbut-2-en-1-amine;2-methylpropane?
(Z)-N-ethylbut-2-en-1-amine;2-methylpropane has a molecular weight of 157.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylbut-2-en-1-amine;2-methylpropane is sourced from PubChem (CID 171800093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).