N-butoxydecan-1-amine

C14H31NO — CID 154317996

IUPACN-butoxydecan-1-amine
SMILESCCCCCCCCCCNOCCCC
InChIInChI=1S/C14H31NO/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h15H,3-14H2,1-2H3
InChIKeyRTGQANMZCCGUMR-UHFFFAOYSA-N
MW229.41 g/mol
LogP4.45
Rot. Bonds13

About N-butoxydecan-1-amine

N-butoxydecan-1-amine (PubChem CID 154317996) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-butoxydecan-1-amine.

Molecular Properties

Compound NameN-butoxydecan-1-amine
PubChem CID154317996
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-butoxydecan-1-amine
SMILESCCCCCCCCCCNOCCCC
InChIInChI=1S/C14H31NO/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h15H,3-14H2,1-2H3
InChIKeyRTGQANMZCCGUMR-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 54.45
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'}

Analyze N-butoxydecan-1-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

CID 174727700
CID 174727700
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
N-octadecoxypropan-1-amine
CID 18519352
2-(hexylamino)oxyethyl-trimethylazanium
CID 141013083
cyclopropane;N-dodecoxypropan-1-amine
CID 130367915
N-heptoxyethanamine
CID 88792401
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992
N-(2-hexoxyethoxy)propan-1-amine
CID 88792520
N-methoxydodecan-1-amine
CID 14131600
N-(butoxymethoxy)butan-1-amine
CID 173191870

Frequently Asked Questions

What is the IUPAC name of N-butoxydecan-1-amine?
The IUPAC name of N-butoxydecan-1-amine (CID 154317996) is N-butoxydecan-1-amine.
What is the SMILES notation for N-butoxydecan-1-amine?
The canonical SMILES for N-butoxydecan-1-amine is CCCCCCCCCCNOCCCC.
What is the InChIKey of N-butoxydecan-1-amine?
The InChIKey is RTGQANMZCCGUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of N-butoxydecan-1-amine?
N-butoxydecan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxydecan-1-amine is sourced from PubChem (CID 154317996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).