N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine

C12H26N2 — CID 169113613

IUPACN-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine
SMILESCC/C=C\C=N\C.CCNCC(C)C
InChIInChI=1S/C6H15N.C6H11N/c1-4-7-5-6(2)3;1-3-4-5-6-7-2/h6-7H,4-5H2,1-3H3;4-6H,3H2,1-2H3/b;5-4-,7-6+
InChIKeyUGLSGZRERVHMQU-IUWKOCNCSA-N
MW198.35 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine

N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine (PubChem CID 169113613) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine
PubChem CID169113613
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine
SMILESCC/C=C\C=N\C.CCNCC(C)C
InChIInChI=1S/C6H15N.C6H11N/c1-4-7-5-6(2)3;1-3-4-5-6-7-2/h6-7H,4-5H2,1-3H3;4-6H,3H2,1-2H3/b;5-4-,7-6+
InChIKeyUGLSGZRERVHMQU-IUWKOCNCSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 123156694
N-(2-methyliminoethyl)hex-4-en-2-amine
CID 123303353
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
CID 129043125
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
N-ethyl-2-[[(Z)-pent-2-enylidene]amino]ethanamine
CID 132002063
4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine
CID 134405971
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
CID 137402233
N-ethyl-5-(ethylideneamino)pent-3-en-2-amine
CID 138511224
N'-(3,4-dihydro-2H-azepin-3-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 142095769
(Z)-3-(ethyliminomethyl)-N-methylpent-3-en-1-amine
CID 142206942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine?
The IUPAC name of N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine (CID 169113613) is N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine.
What is the SMILES notation for N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine?
The canonical SMILES for N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine is CC/C=C\C=N\C.CCNCC(C)C.
What is the InChIKey of N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine?
The InChIKey is UGLSGZRERVHMQU-IUWKOCNCSA-N. The full InChI is InChI=1S/C6H15N.C6H11N/c1-4-7-5-6(2)3;1-3-4-5-6-7-2/h6-7H,4-5H2,1-3H3;4-6H,3H2,1-2H3/b;5-4-,7-6+.
What are the key properties of N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine?
N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine has a molecular weight of 198.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropan-1-amine;(Z)-N-methylpent-2-en-1-imine is sourced from PubChem (CID 169113613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).