N'-cyclopentyloxypropane-1,3-diamine

C8H18N2O — CID 83228805

IUPACN'-cyclopentyloxypropane-1,3-diamine
SMILESNCCCNOC1CCCC1
InChIInChI=1S/C8H18N2O/c9-6-3-7-10-11-8-4-1-2-5-8/h8,10H,1-7,9H2
InChIKeyJGXJSQITUPFHPT-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.80
Rot. Bonds5

About N'-cyclopentyloxypropane-1,3-diamine

N'-cyclopentyloxypropane-1,3-diamine (PubChem CID 83228805) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-cyclopentyloxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyloxypropane-1,3-diamine
PubChem CID83228805
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-cyclopentyloxypropane-1,3-diamine
SMILESNCCCNOC1CCCC1
InChIInChI=1S/C8H18N2O/c9-6-3-7-10-11-8-4-1-2-5-8/h8,10H,1-7,9H2
InChIKeyJGXJSQITUPFHPT-UHFFFAOYSA-N
XLogP0.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyloxypropane-1,3-diamine?
The IUPAC name of N'-cyclopentyloxypropane-1,3-diamine (CID 83228805) is N'-cyclopentyloxypropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyloxypropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyloxypropane-1,3-diamine is NCCCNOC1CCCC1.
What is the InChIKey of N'-cyclopentyloxypropane-1,3-diamine?
The InChIKey is JGXJSQITUPFHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-6-3-7-10-11-8-4-1-2-5-8/h8,10H,1-7,9H2.
What are the key properties of N'-cyclopentyloxypropane-1,3-diamine?
N'-cyclopentyloxypropane-1,3-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyloxypropane-1,3-diamine is sourced from PubChem (CID 83228805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).