(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine

C9H19N3O — CID 90453321

IUPAC(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine
SMILESCOC[C@@H](C)N/C=C/C(N)/C=C\N
InChIInChI=1S/C9H19N3O/c1-8(7-13-2)12-6-4-9(11)3-5-10/h3-6,8-9,12H,7,10-11H2,1-2H3/b5-3-,6-4+/t8-,9?/m1/s1
InChIKeyNISSBKJXRNOANX-OMLHAZSUSA-N
MW185.27 g/mol
LogP-0.08
Rot. Bonds6

About (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine

(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine (PubChem CID 90453321) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine.

Molecular Properties

Compound Name(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine
PubChem CID90453321
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine
SMILESCOC[C@@H](C)N/C=C/C(N)/C=C\N
InChIInChI=1S/C9H19N3O/c1-8(7-13-2)12-6-4-9(11)3-5-10/h3-6,8-9,12H,7,10-11H2,1-2H3/b5-3-,6-4+/t8-,9?/m1/s1
InChIKeyNISSBKJXRNOANX-OMLHAZSUSA-N
XLogP-0.08
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine?
The IUPAC name of (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine (CID 90453321) is (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine.
What is the SMILES notation for (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine?
The canonical SMILES for (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine is COC[C@@H](C)N/C=C/C(N)/C=C\N.
What is the InChIKey of (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine?
The InChIKey is NISSBKJXRNOANX-OMLHAZSUSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(7-13-2)12-6-4-9(11)3-5-10/h3-6,8-9,12H,7,10-11H2,1-2H3/b5-3-,6-4+/t8-,9?/m1/s1.
What are the key properties of (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine?
(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine has a molecular weight of 185.27 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine is sourced from PubChem (CID 90453321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).