(E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine

C10H18N4 — CID 173478263

IUPAC(E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine
SMILESC=C(N=C/C(N)=C\N)N1CCCCC1
InChIInChI=1S/C10H18N4/c1-9(13-8-10(12)7-11)14-5-3-2-4-6-14/h7-8H,1-6,11-12H2/b10-7+,13-8?
InChIKeyBEHXAJINVZRBSU-LSDIPOKOSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds3

About (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine

(E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine (PubChem CID 173478263) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine
PubChem CID173478263
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine
SMILESC=C(N=C/C(N)=C\N)N1CCCCC1
InChIInChI=1S/C10H18N4/c1-9(13-8-10(12)7-11)14-5-3-2-4-6-14/h7-8H,1-6,11-12H2/b10-7+,13-8?
InChIKeyBEHXAJINVZRBSU-LSDIPOKOSA-N
XLogP0.77
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine (CID 173478263) is (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine is C=C(N=C/C(N)=C\N)N1CCCCC1.
What is the InChIKey of (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine?
The InChIKey is BEHXAJINVZRBSU-LSDIPOKOSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(13-8-10(12)7-11)14-5-3-2-4-6-14/h7-8H,1-6,11-12H2/b10-7+,13-8?.
What are the key properties of (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine?
(E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-piperidin-1-ylethenylimino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 173478263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).