(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine

C13H24N4 — CID 169205013

IUPAC(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
SMILESC/C=C\N=C(C(=C/CC)/NC)\N1CCNCC1
InChIInChI=1S/C13H24N4/c1-4-6-12(14-3)13(16-7-5-2)17-10-8-15-9-11-17/h5-7,14-15H,4,8-11H2,1-3H3/b7-5-,12-6-,16-13+
InChIKeyCWZPSRNQYPVQCH-DFVUNLMVSA-N
MW236.36 g/mol
LogP1.34
Rot. Bonds4

About (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine

(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine (PubChem CID 169205013) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
PubChem CID169205013
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
SMILESC/C=C\N=C(C(=C/CC)/NC)\N1CCNCC1
InChIInChI=1S/C13H24N4/c1-4-6-12(14-3)13(16-7-5-2)17-10-8-15-9-11-17/h5-7,14-15H,4,8-11H2,1-3H3/b7-5-,12-6-,16-13+
InChIKeyCWZPSRNQYPVQCH-DFVUNLMVSA-N
XLogP1.34
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.34
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'}

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Related Compounds

7-piperazin-1-yl-4H-azepine
CID 54476477
1-[(2E)-2-butylidenepiperazin-1-yl]-2,2,2-trifluoro-N-methylethanimine
CID 121478411
1-(2-butylidenepiperazin-1-yl)-2,2,2-trifluoro-N-methylethanimine
CID 123760583
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
2-(1,4-dihydroazepin-7-ylideneamino)-N-ethyl-N-methylethanamine
CID 143094160
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 144562517
2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
CID 144995485
1-[(5Z,6E)-5-ethylidene-6-prop-2-enylidene-2-pyridinyl]piperazine
CID 156377873
3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine
CID 163561131

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine?
The IUPAC name of (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine (CID 169205013) is (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine is C/C=C\N=C(C(=C/CC)/NC)\N1CCNCC1.
What is the InChIKey of (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine?
The InChIKey is CWZPSRNQYPVQCH-DFVUNLMVSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-12(14-3)13(16-7-5-2)17-10-8-15-9-11-17/h5-7,14-15H,4,8-11H2,1-3H3/b7-5-,12-6-,16-13+.
What are the key properties of (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine?
(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine is sourced from PubChem (CID 169205013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).