(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine

C9H20N2 — CID 134485862

IUPAC(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine
SMILESC=CC(C)[C@@H](N)CNCCC
InChIInChI=1S/C9H20N2/c1-4-6-11-7-9(10)8(3)5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/t8?,9-/m0/s1
InChIKeyWESACKYNQMCARX-GKAPJAKFSA-N
MW156.27 g/mol
LogP1.14
Rot. Bonds6

About (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine

(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine (PubChem CID 134485862) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine
PubChem CID134485862
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine
SMILESC=CC(C)[C@@H](N)CNCCC
InChIInChI=1S/C9H20N2/c1-4-6-11-7-9(10)8(3)5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/t8?,9-/m0/s1
InChIKeyWESACKYNQMCARX-GKAPJAKFSA-N
XLogP1.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine?
The IUPAC name of (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine (CID 134485862) is (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine.
What is the SMILES notation for (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine?
The canonical SMILES for (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine is C=CC(C)[C@@H](N)CNCCC.
What is the InChIKey of (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine?
The InChIKey is WESACKYNQMCARX-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-6-11-7-9(10)8(3)5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/t8?,9-/m0/s1.
What are the key properties of (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine?
(2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-N-propylpent-4-ene-1,2-diamine is sourced from PubChem (CID 134485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).