1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine

C9H20N2O — CID 129045299

IUPAC1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine
SMILESC=C(CCC(N)OC)NC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)11-8(3)5-6-9(10)12-4/h7,9,11H,3,5-6,10H2,1-2,4H3
InChIKeyIHFSTJWTFWDFDF-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.21
Rot. Bonds6

About 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine

1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine (PubChem CID 129045299) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine
PubChem CID129045299
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine
SMILESC=C(CCC(N)OC)NC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)11-8(3)5-6-9(10)12-4/h7,9,11H,3,5-6,10H2,1-2,4H3
InChIKeyIHFSTJWTFWDFDF-UHFFFAOYSA-N
XLogP1.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine?
The IUPAC name of 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine (CID 129045299) is 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine.
What is the SMILES notation for 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine?
The canonical SMILES for 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine is C=C(CCC(N)OC)NC(C)C.
What is the InChIKey of 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine?
The InChIKey is IHFSTJWTFWDFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-8(3)5-6-9(10)12-4/h7,9,11H,3,5-6,10H2,1-2,4H3.
What are the key properties of 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine?
1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine has a molecular weight of 172.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-N-propan-2-ylpent-4-ene-1,4-diamine is sourced from PubChem (CID 129045299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).