(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine

C11H22N2 — CID 135280378

IUPAC(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine
SMILESCCC(=C/N)/N=C/C(CC)C(C)C
InChIInChI=1S/C11H22N2/c1-5-10(9(3)4)8-13-11(6-2)7-12/h7-10H,5-6,12H2,1-4H3/b11-7-,13-8+
InChIKeyMTRCXJSEPBZXKP-JKNYEHFOSA-N
MW182.31 g/mol
LogP2.95
Rot. Bonds5

About (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine

(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine (PubChem CID 135280378) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine
PubChem CID135280378
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine
SMILESCCC(=C/N)/N=C/C(CC)C(C)C
InChIInChI=1S/C11H22N2/c1-5-10(9(3)4)8-13-11(6-2)7-12/h7-10H,5-6,12H2,1-4H3/b11-7-,13-8+
InChIKeyMTRCXJSEPBZXKP-JKNYEHFOSA-N
XLogP2.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.95
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

(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
CID 123331055
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
(E)-2-amino-4-(2-methylbutylideneamino)hex-3-enoic acid
CID 91443581
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol
CID 166682565
N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide
CID 63841288
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
5-ethyl-6-methylhepta-1,3-diene
CID 91204773
N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
CID 166933258
(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
CID 174281685
N'-butan-2-ylmethanimidamide
CID 13225428
(NZ)-N-[(2S)-2-methylbutylidene]hydroxylamine
CID 71448984

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine?
The IUPAC name of (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine (CID 135280378) is (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine?
The canonical SMILES for (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine is CCC(=C/N)/N=C/C(CC)C(C)C.
What is the InChIKey of (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine?
The InChIKey is MTRCXJSEPBZXKP-JKNYEHFOSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-10(9(3)4)8-13-11(6-2)7-12/h7-10H,5-6,12H2,1-4H3/b11-7-,13-8+.
What are the key properties of (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine?
(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine is sourced from PubChem (CID 135280378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).