(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine

C20H35N3 — CID 167047804

IUPAC(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine
SMILES[H]/N=C(\C=C(/NC(CC)C1CC1)C(=C)CCC)N1CCCCC1C
InChIInChI=1S/C20H35N3/c1-5-9-15(3)19(22-18(6-2)17-11-12-17)14-20(21)23-13-8-7-10-16(23)4/h14,16-18,21-22H,3,5-13H2,1-2,4H3/b19-14-,21-20+
InChIKeyUPLHQULOSCTUQA-CATLUZDMSA-N
MW317.52 g/mol
LogP4.86
Rot. Bonds8

About (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine

(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine (PubChem CID 167047804) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine
PubChem CID167047804
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine
SMILES[H]/N=C(\C=C(/NC(CC)C1CC1)C(=C)CCC)N1CCCCC1C
InChIInChI=1S/C20H35N3/c1-5-9-15(3)19(22-18(6-2)17-11-12-17)14-20(21)23-13-8-7-10-16(23)4/h14,16-18,21-22H,3,5-13H2,1-2,4H3/b19-14-,21-20+
InChIKeyUPLHQULOSCTUQA-CATLUZDMSA-N
XLogP4.86
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine?
The IUPAC name of (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine (CID 167047804) is (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine.
What is the SMILES notation for (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine?
The canonical SMILES for (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine is [H]/N=C(\C=C(/NC(CC)C1CC1)C(=C)CCC)N1CCCCC1C.
What is the InChIKey of (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine?
The InChIKey is UPLHQULOSCTUQA-CATLUZDMSA-N. The full InChI is InChI=1S/C20H35N3/c1-5-9-15(3)19(22-18(6-2)17-11-12-17)14-20(21)23-13-8-7-10-16(23)4/h14,16-18,21-22H,3,5-13H2,1-2,4H3/b19-14-,21-20+.
What are the key properties of (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine?
(Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine has a molecular weight of 317.52 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-cyclopropylpropyl)-1-imino-4-methylidene-1-(2-methylpiperidin-1-yl)hept-2-en-3-amine is sourced from PubChem (CID 167047804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).