(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine

C13H23N3 — CID 144588465

IUPAC(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine
SMILES[H]/N=C/C(=C\CC)/C(=C\NC)C(C)NC1CC1
InChIInChI=1S/C13H23N3/c1-4-5-11(8-14)13(9-15-3)10(2)16-12-6-7-12/h5,8-10,12,14-16H,4,6-7H2,1-3H3/b11-5+,13-9-,14-8+
InChIKeyNVEVYSKOQBLMHF-ISCPWEHMSA-N
MW221.35 g/mol
LogP2.22
Rot. Bonds7

About (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine

(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine (PubChem CID 144588465) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine
PubChem CID144588465
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine
SMILES[H]/N=C/C(=C\CC)/C(=C\NC)C(C)NC1CC1
InChIInChI=1S/C13H23N3/c1-4-5-11(8-14)13(9-15-3)10(2)16-12-6-7-12/h5,8-10,12,14-16H,4,6-7H2,1-3H3/b11-5+,13-9-,14-8+
InChIKeyNVEVYSKOQBLMHF-ISCPWEHMSA-N
XLogP2.22
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
N-[3-(4-methyl-3H-azepin-7-yl)propyl]cyclopropanamine
CID 91432445
1-(4-ethyl-3H-azepin-6-yl)-N-methylethanamine
CID 123236699
N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
CID 123977542
(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
CID 134473203
(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine
CID 134473261
(1E,3E)-3-N-cyclopropyl-2-methanimidoylpenta-1,3-diene-1,3,4-triamine
CID 142514401
(Z)-3-imino-2-(1,2,3,6-tetrahydropyridin-4-yl)prop-1-en-1-amine
CID 144453712
(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine
CID 144588383
(Z)-2-(2-methyl-1,2-dihydropyridin-3-yl)pent-2-en-1-imine
CID 145691680
(2R,4E,6Z)-8-but-1-enylimino-N,4-dimethylocta-4,6-dien-2-amine
CID 154992810
(Z)-N'-(cyclopropylmethyl)-3-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methanimidoylprop-1-ene-1,3-diamine
CID 156421372

Frequently Asked Questions

What is the IUPAC name of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine (CID 144588465) is (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine is [H]/N=C/C(=C\CC)/C(=C\NC)C(C)NC1CC1.
What is the InChIKey of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine?
The InChIKey is NVEVYSKOQBLMHF-ISCPWEHMSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-5-11(8-14)13(9-15-3)10(2)16-12-6-7-12/h5,8-10,12,14-16H,4,6-7H2,1-3H3/b11-5+,13-9-,14-8+.
What are the key properties of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine?
(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 144588465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).