(E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine

C15H29N3 — CID 142416854

IUPAC(E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine
SMILESCC/C=C1/CCCC/C1=N\C.CNC/C=C/CN
InChIInChI=1S/C10H17N.C5H12N2/c1-3-6-9-7-4-5-8-10(9)11-2;1-7-5-3-2-4-6/h6H,3-5,7-8H2,1-2H3;2-3,7H,4-6H2,1H3/b9-6-,11-10+;3-2+
InChIKeyBRUAUBJIYPICFI-RTRWWWHSSA-N
MW251.42 g/mol
LogP2.69
Rot. Bonds4

About (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine

(E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine (PubChem CID 142416854) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine.

Molecular Properties

Compound Name(E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine
PubChem CID142416854
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine
SMILESCC/C=C1/CCCC/C1=N\C.CNC/C=C/CN
InChIInChI=1S/C10H17N.C5H12N2/c1-3-6-9-7-4-5-8-10(9)11-2;1-7-5-3-2-4-6/h6H,3-5,7-8H2,1-2H3;2-3,7H,4-6H2,1H3/b9-6-,11-10+;3-2+
InChIKeyBRUAUBJIYPICFI-RTRWWWHSSA-N
XLogP2.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[[(2E)-8-methylidenedeca-2,9-dien-4-ylidene]amino]propan-1-amine
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1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
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CID 123408588
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4-Methyl-6,7,8,9-tetrahydro-1-benzazepin-4-amine
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(E)-4-imino-3-methanimidoyl-N-methylhept-2-en-1-amine
CID 134504013
(2E,5E)-N,3-dimethyl-4-methylimino-5-[(propan-2-ylideneamino)methylidene]hepta-2,6-dien-2-amine
CID 134567726
ethane;(1Z)-1-(6-methyliminocyclohexa-2,4-dien-1-ylidene)propan-2-amine
CID 145520097
(2E,6E)-3,7-dimethyl-10-methyliminoundeca-2,6-dien-1-amine
CID 146254087
(Z)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pent-3-en-2-imine
CID 146360789

Frequently Asked Questions

What is the IUPAC name of (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine?
The IUPAC name of (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine (CID 142416854) is (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine.
What is the SMILES notation for (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine?
The canonical SMILES for (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine is CC/C=C1/CCCC/C1=N\C.CNC/C=C/CN.
What is the InChIKey of (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine?
The InChIKey is BRUAUBJIYPICFI-RTRWWWHSSA-N. The full InChI is InChI=1S/C10H17N.C5H12N2/c1-3-6-9-7-4-5-8-10(9)11-2;1-7-5-3-2-4-6/h6H,3-5,7-8H2,1-2H3;2-3,7H,4-6H2,1H3/b9-6-,11-10+;3-2+.
What are the key properties of (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine?
(E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine has a molecular weight of 251.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-methylbut-2-ene-1,4-diamine;(2Z)-N-methyl-2-propylidenecyclohexan-1-imine is sourced from PubChem (CID 142416854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).