4-morpholin-2-ylpentane-1,3-diamine

C9H21N3O — CID 70381167

IUPAC4-morpholin-2-ylpentane-1,3-diamine
SMILESCC(C(N)CCN)C1CNCCO1
InChIInChI=1S/C9H21N3O/c1-7(8(11)2-3-10)9-6-12-4-5-13-9/h7-9,12H,2-6,10-11H2,1H3
InChIKeyNZDVCKGYNKYCBK-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.71
Rot. Bonds4

About 4-morpholin-2-ylpentane-1,3-diamine

4-morpholin-2-ylpentane-1,3-diamine (PubChem CID 70381167) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-morpholin-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name4-morpholin-2-ylpentane-1,3-diamine
PubChem CID70381167
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-morpholin-2-ylpentane-1,3-diamine
SMILESCC(C(N)CCN)C1CNCCO1
InChIInChI=1S/C9H21N3O/c1-7(8(11)2-3-10)9-6-12-4-5-13-9/h7-9,12H,2-6,10-11H2,1H3
InChIKeyNZDVCKGYNKYCBK-UHFFFAOYSA-N
XLogP-0.71
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-morpholin-2-ylpentane-1,3-diamine 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 4-morpholin-2-ylpentane-1,3-diamine?
The IUPAC name of 4-morpholin-2-ylpentane-1,3-diamine (CID 70381167) is 4-morpholin-2-ylpentane-1,3-diamine.
What is the SMILES notation for 4-morpholin-2-ylpentane-1,3-diamine?
The canonical SMILES for 4-morpholin-2-ylpentane-1,3-diamine is CC(C(N)CCN)C1CNCCO1.
What is the InChIKey of 4-morpholin-2-ylpentane-1,3-diamine?
The InChIKey is NZDVCKGYNKYCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(8(11)2-3-10)9-6-12-4-5-13-9/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of 4-morpholin-2-ylpentane-1,3-diamine?
4-morpholin-2-ylpentane-1,3-diamine has a molecular weight of 187.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-2-ylpentane-1,3-diamine is sourced from PubChem (CID 70381167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).