(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine

C23H33N3 — CID 88998058

IUPAC(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
SMILESC=C/C(=N\C=C(\C)N)[C@@H](C)NC(=C)C1CC1/C(C)=C/C=C\C(=C)/C=C\C
InChIInChI=1S/C23H33N3/c1-8-11-16(3)12-10-13-17(4)21-14-22(21)19(6)26-20(7)23(9-2)25-15-18(5)24/h8-13,15,20-22,26H,2-3,6,14,24H2,1,4-5,7H3/b11-8-,12-10-,17-13+,18-15-,25-23+/t20-,21?,22?/m1/s1
InChIKeyRRGKQRNJQZDZOI-YTQHOWPPSA-N
MW351.54 g/mol
LogP5.20
Rot. Bonds10

About (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine

(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine (PubChem CID 88998058) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
PubChem CID88998058
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
SMILESC=C/C(=N\C=C(\C)N)[C@@H](C)NC(=C)C1CC1/C(C)=C/C=C\C(=C)/C=C\C
InChIInChI=1S/C23H33N3/c1-8-11-16(3)12-10-13-17(4)21-14-22(21)19(6)26-20(7)23(9-2)25-15-18(5)24/h8-13,15,20-22,26H,2-3,6,14,24H2,1,4-5,7H3/b11-8-,12-10-,17-13+,18-15-,25-23+/t20-,21?,22?/m1/s1
InChIKeyRRGKQRNJQZDZOI-YTQHOWPPSA-N
XLogP5.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine?
The IUPAC name of (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine (CID 88998058) is (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine.
What is the SMILES notation for (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine?
The canonical SMILES for (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine is C=C/C(=N\C=C(\C)N)[C@@H](C)NC(=C)C1CC1/C(C)=C/C=C\C(=C)/C=C\C.
What is the InChIKey of (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine?
The InChIKey is RRGKQRNJQZDZOI-YTQHOWPPSA-N. The full InChI is InChI=1S/C23H33N3/c1-8-11-16(3)12-10-13-17(4)21-14-22(21)19(6)26-20(7)23(9-2)25-15-18(5)24/h8-13,15,20-22,26H,2-3,6,14,24H2,1,4-5,7H3/b11-8-,12-10-,17-13+,18-15-,25-23+/t20-,21?,22?/m1/s1.
What are the key properties of (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine?
(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine has a molecular weight of 351.54 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine is sourced from PubChem (CID 88998058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).