3-pentyloxan-4-amine

C10H21NO — CID 69487163

IUPAC3-pentyloxan-4-amine
SMILESCCCCCC1COCCC1N
InChIInChI=1S/C10H21NO/c1-2-3-4-5-9-8-12-7-6-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyVKTBFAZNSKMWQK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 3-pentyloxan-4-amine

3-pentyloxan-4-amine (PubChem CID 69487163) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-pentyloxan-4-amine.

Molecular Properties

Compound Name3-pentyloxan-4-amine
PubChem CID69487163
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-pentyloxan-4-amine
SMILESCCCCCC1COCCC1N
InChIInChI=1S/C10H21NO/c1-2-3-4-5-9-8-12-7-6-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyVKTBFAZNSKMWQK-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-pentyloxan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-Propanamine, 3-(isodecyloxy)-
CID 120013
1-Propanamine, 3-(isononyloxy)-
CID 121810
2-(Propan-2-yl)oxan-4-amine
CID 46785833
4-(Oxan-4-yl)butan-2-amine
CID 62386259
2-(2-Methylpropyl)oxan-4-amine
CID 64104920
2-Tert-butyloxan-4-amine
CID 64105126
7-Oxaspiro[4.5]decan-10-amine
CID 83905183
1-(Oxan-4-yl)propan-2-amine
CID 21054632
2-Cyclopropyloxan-4-amine
CID 64105548
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
1-(Oxan-3-yl)propan-1-amine
CID 65332455
2-(2-Methylpropyl)oxan-3-amine hydrochloride
CID 75423686

Frequently Asked Questions

What is the IUPAC name of 3-pentyloxan-4-amine?
The IUPAC name of 3-pentyloxan-4-amine (CID 69487163) is 3-pentyloxan-4-amine.
What is the SMILES notation for 3-pentyloxan-4-amine?
The canonical SMILES for 3-pentyloxan-4-amine is CCCCCC1COCCC1N.
What is the InChIKey of 3-pentyloxan-4-amine?
The InChIKey is VKTBFAZNSKMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-5-9-8-12-7-6-10(9)11/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-pentyloxan-4-amine?
3-pentyloxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyloxan-4-amine is sourced from PubChem (CID 69487163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).