(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene

C14H27N3 — CID 144740178

IUPAC(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene
SMILESC/N=C(\C=C(/C)NC)C1CCNCC1.C=CC
InChIInChI=1S/C11H21N3.C3H6/c1-9(12-2)8-11(13-3)10-4-6-14-7-5-10;1-3-2/h8,10,12,14H,4-7H2,1-3H3;3H,1H2,2H3/b9-8+,13-11+;
InChIKeyBFMNBFIEEYAINO-HKKJTPCJSA-N
MW237.39 g/mol
LogP2.37
Rot. Bonds3

About (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene

(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene (PubChem CID 144740178) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene.

Molecular Properties

Compound Name(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene
PubChem CID144740178
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene
SMILESC/N=C(\C=C(/C)NC)C1CCNCC1.C=CC
InChIInChI=1S/C11H21N3.C3H6/c1-9(12-2)8-11(13-3)10-4-6-14-7-5-10;1-3-2/h8,10,12,14H,4-7H2,1-3H3;3H,1H2,2H3/b9-8+,13-11+;
InChIKeyBFMNBFIEEYAINO-HKKJTPCJSA-N
XLogP2.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.37
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

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
CID 170199610
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene
CID 91342279
2,4a,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 91486096
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene?
The IUPAC name of (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene (CID 144740178) is (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene.
What is the SMILES notation for (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene?
The canonical SMILES for (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene is C/N=C(\C=C(/C)NC)C1CCNCC1.C=CC.
What is the InChIKey of (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene?
The InChIKey is BFMNBFIEEYAINO-HKKJTPCJSA-N. The full InChI is InChI=1S/C11H21N3.C3H6/c1-9(12-2)8-11(13-3)10-4-6-14-7-5-10;1-3-2/h8,10,12,14H,4-7H2,1-3H3;3H,1H2,2H3/b9-8+,13-11+;.
What are the key properties of (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene?
(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene has a molecular weight of 237.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene is sourced from PubChem (CID 144740178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).