(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine

C9H17N3 — CID 143782130

IUPAC(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
SMILESCN1CCC(/N=C/C=C\N)CC1
InChIInChI=1S/C9H17N3/c1-12-7-3-9(4-8-12)11-6-2-5-10/h2,5-6,9H,3-4,7-8,10H2,1H3/b5-2-,11-6+
InChIKeyCXWCNWILAYBSGE-LTGWCMJBSA-N
MW167.26 g/mol
LogP0.62
Rot. Bonds2

About (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine

(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine (PubChem CID 143782130) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
PubChem CID143782130
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
SMILESCN1CCC(/N=C/C=C\N)CC1
InChIInChI=1S/C9H17N3/c1-12-7-3-9(4-8-12)11-6-2-5-10/h2,5-6,9H,3-4,7-8,10H2,1H3/b5-2-,11-6+
InChIKeyCXWCNWILAYBSGE-LTGWCMJBSA-N
XLogP0.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-4-yl-2H-pyrimidin-2-amine
CID 66896745
N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
CID 123932561
N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine
CID 134406137
N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine
CID 143586132
ethane;(E)-N-methyl-2-piperidin-1-yl-2-[(Z)-prop-2-enylideneamino]ethenamine
CID 143800893
1-[(E)-1,4-diiminobut-2-en-2-yl]-N-methylpiperidin-4-amine
CID 144349549
3-(1-Methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 148281286
1-(2H-pyrimidin-1-ylmethyl)piperidin-4-amine
CID 150810950
3-(1-Methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153153367
(Z)-3-piperidin-4-yliminoprop-1-en-1-amine
CID 153377316
[(E)-2-amino-3-iminoprop-1-enyl]-(1-methylpiperidin-4-yl)azanium
CID 153566877
ethane;(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153567217

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine (CID 143782130) is (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine is CN1CCC(/N=C/C=C\N)CC1.
What is the InChIKey of (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine?
The InChIKey is CXWCNWILAYBSGE-LTGWCMJBSA-N. The full InChI is InChI=1S/C9H17N3/c1-12-7-3-9(4-8-12)11-6-2-5-10/h2,5-6,9H,3-4,7-8,10H2,1H3/b5-2-,11-6+.
What are the key properties of (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine?
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine is sourced from PubChem (CID 143782130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).