acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine

C13H25N3O — CID 156802102

IUPACacetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine
SMILESC#C.C/C(=N\C=C/CN)N1CCCCC1.CO
InChIInChI=1S/C10H19N3.C2H2.CH4O/c1-10(12-7-5-6-11)13-8-3-2-4-9-13;2*1-2/h5,7H,2-4,6,8-9,11H2,1H3;1-2H;2H,1H3/b7-5-,12-10+;;
InChIKeyRDSCQBRLGSYJKG-XXJVPTPISA-N
MW239.36 g/mol
LogP1.22
Rot. Bonds2

About acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine

acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine (PubChem CID 156802102) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine.

Molecular Properties

Compound Nameacetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine
PubChem CID156802102
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Nameacetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine
SMILESC#C.C/C(=N\C=C/CN)N1CCCCC1.CO
InChIInChI=1S/C10H19N3.C2H2.CH4O/c1-10(12-7-5-6-11)13-8-3-2-4-9-13;2*1-2/h5,7H,2-4,6,8-9,11H2,1H3;1-2H;2H,1H3/b7-5-,12-10+;;
InChIKeyRDSCQBRLGSYJKG-XXJVPTPISA-N
XLogP1.22
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-ylethanone;propanal
CID 178173122
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
(NZ)-N-(1-piperidin-1-ylethylidene)sulfamoyl chloride
CID 55279216
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol
CID 156802218
(NZ)-N-(1-piperidin-1-ylethylidene)methanesulfonamide
CID 142943744
acetylene;(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
CID 142969803
(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine
CID 164651290
ethyl (E)-3-piperidin-1-ylbut-2-enoate
CID 692003
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502

Frequently Asked Questions

What is the IUPAC name of acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine?
The IUPAC name of acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine (CID 156802102) is acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine.
What is the SMILES notation for acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine?
The canonical SMILES for acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine is C#C.C/C(=N\C=C/CN)N1CCCCC1.CO.
What is the InChIKey of acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine?
The InChIKey is RDSCQBRLGSYJKG-XXJVPTPISA-N. The full InChI is InChI=1S/C10H19N3.C2H2.CH4O/c1-10(12-7-5-6-11)13-8-3-2-4-9-13;2*1-2/h5,7H,2-4,6,8-9,11H2,1H3;1-2H;2H,1H3/b7-5-,12-10+;;.
What are the key properties of acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine?
acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;methanol;(Z)-3-(1-piperidin-1-ylethylideneamino)prop-2-en-1-amine is sourced from PubChem (CID 156802102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).