(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine

C8H16N4 — CID 139358814

IUPAC(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NCCNC1C
InChIInChI=1S/C8H16N4/c1-6-8(7(4-9)5-10)12-3-2-11-6/h4-6,8-9,11-12H,2-3,10H2,1H3/b7-5+,9-4+
InChIKeyYQLNVPFRAMWXEY-PGWPIGLESA-N
MW168.24 g/mol
LogP-0.57
Rot. Bonds2

About (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine

(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine (PubChem CID 139358814) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine
PubChem CID139358814
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NCCNC1C
InChIInChI=1S/C8H16N4/c1-6-8(7(4-9)5-10)12-3-2-11-6/h4-6,8-9,11-12H,2-3,10H2,1H3/b7-5+,9-4+
InChIKeyYQLNVPFRAMWXEY-PGWPIGLESA-N
XLogP-0.57
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 139358448
(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine
CID 139356983
(Z)-2-(3,6-dimethylpiperazin-2-yl)-3-iminoprop-1-en-1-amine
CID 139356984
(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine
CID 139357783
(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 139357789
(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine
CID 139357833
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine
CID 139357843
(Z)-3-imino-2-(6-methylpiperazin-2-yl)prop-1-en-1-amine
CID 139357883
(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine
CID 139357976
(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine
CID 139358067
(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine
CID 139358528
(Z)-2-(6,6-dimethylpiperazin-2-yl)-3-iminoprop-1-en-1-amine
CID 139358901

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine (CID 139358814) is (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1NCCNC1C.
What is the InChIKey of (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine?
The InChIKey is YQLNVPFRAMWXEY-PGWPIGLESA-N. The full InChI is InChI=1S/C8H16N4/c1-6-8(7(4-9)5-10)12-3-2-11-6/h4-6,8-9,11-12H,2-3,10H2,1H3/b7-5+,9-4+.
What are the key properties of (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 139358814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).