(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine

C10H20N4 — CID 139357976

IUPAC(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)C(C)NC1C
InChIInChI=1S/C10H20N4/c1-6-7(2)14-10(8(3)13-6)9(4-11)5-12/h4-8,10-11,13-14H,12H2,1-3H3/b9-5+,11-4+
InChIKeyLNTGEZSVIVVPRM-IZRNULKBSA-N
MW196.30 g/mol
LogP0.21
Rot. Bonds2

About (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine

(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine (PubChem CID 139357976) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine
PubChem CID139357976
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)C(C)NC1C
InChIInChI=1S/C10H20N4/c1-6-7(2)14-10(8(3)13-6)9(4-11)5-12/h4-8,10-11,13-14H,12H2,1-3H3/b9-5+,11-4+
InChIKeyLNTGEZSVIVVPRM-IZRNULKBSA-N
XLogP0.21
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.21
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-(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)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine
CID 139358814
(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-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine (CID 139357976) is (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)C(C)NC1C.
What is the InChIKey of (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine?
The InChIKey is LNTGEZSVIVVPRM-IZRNULKBSA-N. The full InChI is InChI=1S/C10H20N4/c1-6-7(2)14-10(8(3)13-6)9(4-11)5-12/h4-8,10-11,13-14H,12H2,1-3H3/b9-5+,11-4+.
What are the key properties of (Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine has a molecular weight of 196.30 g/mol, XLogP of 0.21, 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-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 139357976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).