N-butoxyhexan-1-amine

C10H23NO — CID 88623726

IUPACN-butoxyhexan-1-amine
SMILESCCCCCCNOCCCC
InChIInChI=1S/C10H23NO/c1-3-5-7-8-9-11-12-10-6-4-2/h11H,3-10H2,1-2H3
InChIKeyJHSOSGJHHMSSOB-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.89
Rot. Bonds9

About N-butoxyhexan-1-amine

N-butoxyhexan-1-amine (PubChem CID 88623726) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-butoxyhexan-1-amine.

Molecular Properties

Compound NameN-butoxyhexan-1-amine
PubChem CID88623726
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-butoxyhexan-1-amine
SMILESCCCCCCNOCCCC
InChIInChI=1S/C10H23NO/c1-3-5-7-8-9-11-12-10-6-4-2/h11H,3-10H2,1-2H3
InChIKeyJHSOSGJHHMSSOB-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butoxyhexan-1-amine?
The IUPAC name of N-butoxyhexan-1-amine (CID 88623726) is N-butoxyhexan-1-amine.
What is the SMILES notation for N-butoxyhexan-1-amine?
The canonical SMILES for N-butoxyhexan-1-amine is CCCCCCNOCCCC.
What is the InChIKey of N-butoxyhexan-1-amine?
The InChIKey is JHSOSGJHHMSSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-7-8-9-11-12-10-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-butoxyhexan-1-amine?
N-butoxyhexan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxyhexan-1-amine is sourced from PubChem (CID 88623726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).