(3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine

C17H30N2 — CID 174348064

IUPAC(3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine
SMILESCCCC(=C\C=C(/C)[C@H]1CCCN1)/C(N)=C(\C)CC
InChIInChI=1S/C17H30N2/c1-5-8-15(17(18)13(3)6-2)11-10-14(4)16-9-7-12-19-16/h10-11,16,19H,5-9,12,18H2,1-4H3/b14-10+,15-11+,17-13-/t16-/m1/s1
InChIKeyRLXSBVZVTUXFKG-CIRCGDHJSA-N
MW262.44 g/mol
LogP4.05
Rot. Bonds6

About (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine

(3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine (PubChem CID 174348064) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine
PubChem CID174348064
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine
SMILESCCCC(=C\C=C(/C)[C@H]1CCCN1)/C(N)=C(\C)CC
InChIInChI=1S/C17H30N2/c1-5-8-15(17(18)13(3)6-2)11-10-14(4)16-9-7-12-19-16/h10-11,16,19H,5-9,12,18H2,1-4H3/b14-10+,15-11+,17-13-/t16-/m1/s1
InChIKeyRLXSBVZVTUXFKG-CIRCGDHJSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine?
The IUPAC name of (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine (CID 174348064) is (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine.
What is the SMILES notation for (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine?
The canonical SMILES for (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine is CCCC(=C\C=C(/C)[C@H]1CCCN1)/C(N)=C(\C)CC.
What is the InChIKey of (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine?
The InChIKey is RLXSBVZVTUXFKG-CIRCGDHJSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-8-15(17(18)13(3)6-2)11-10-14(4)16-9-7-12-19-16/h10-11,16,19H,5-9,12,18H2,1-4H3/b14-10+,15-11+,17-13-/t16-/m1/s1.
What are the key properties of (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine?
(3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine has a molecular weight of 262.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E)-3-methyl-5-propyl-8-[(2R)-pyrrolidin-2-yl]nona-3,5,7-trien-4-amine is sourced from PubChem (CID 174348064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).