3-(3-aminopentan-3-yl)nonan-1-ol

C14H31NO — CID 19368005

IUPAC3-(3-aminopentan-3-yl)nonan-1-ol
SMILESCCCCCCC(CCO)C(N)(CC)CC
InChIInChI=1S/C14H31NO/c1-4-7-8-9-10-13(11-12-16)14(15,5-2)6-3/h13,16H,4-12,15H2,1-3H3
InChIKeyQOSDRTZFBRVRJK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.47
Rot. Bonds10

About 3-(3-aminopentan-3-yl)nonan-1-ol

3-(3-aminopentan-3-yl)nonan-1-ol (PubChem CID 19368005) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-(3-aminopentan-3-yl)nonan-1-ol.

Molecular Properties

Compound Name3-(3-aminopentan-3-yl)nonan-1-ol
PubChem CID19368005
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-(3-aminopentan-3-yl)nonan-1-ol
SMILESCCCCCCC(CCO)C(N)(CC)CC
InChIInChI=1S/C14H31NO/c1-4-7-8-9-10-13(11-12-16)14(15,5-2)6-3/h13,16H,4-12,15H2,1-3H3
InChIKeyQOSDRTZFBRVRJK-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopentan-3-yl)nonan-1-ol?
The IUPAC name of 3-(3-aminopentan-3-yl)nonan-1-ol (CID 19368005) is 3-(3-aminopentan-3-yl)nonan-1-ol.
What is the SMILES notation for 3-(3-aminopentan-3-yl)nonan-1-ol?
The canonical SMILES for 3-(3-aminopentan-3-yl)nonan-1-ol is CCCCCCC(CCO)C(N)(CC)CC.
What is the InChIKey of 3-(3-aminopentan-3-yl)nonan-1-ol?
The InChIKey is QOSDRTZFBRVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-8-9-10-13(11-12-16)14(15,5-2)6-3/h13,16H,4-12,15H2,1-3H3.
What are the key properties of 3-(3-aminopentan-3-yl)nonan-1-ol?
3-(3-aminopentan-3-yl)nonan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopentan-3-yl)nonan-1-ol is sourced from PubChem (CID 19368005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).