N-propyldodecan-1-amine;hydrate

C15H35NO — CID 175137397

IUPACN-propyldodecan-1-amine;hydrate
SMILESCCCCCCCCCCCCNCCC.O
InChIInChI=1S/C15H33N.H2O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;/h16H,3-15H2,1-2H3;1H2
InChIKeyZPDFZKXIDMBOIH-UHFFFAOYSA-N
MW245.45 g/mol
LogP4.08
Rot. Bonds13

About N-propyldodecan-1-amine;hydrate

N-propyldodecan-1-amine;hydrate (PubChem CID 175137397) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is N-propyldodecan-1-amine;hydrate.

Molecular Properties

Compound NameN-propyldodecan-1-amine;hydrate
PubChem CID175137397
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC NameN-propyldodecan-1-amine;hydrate
SMILESCCCCCCCCCCCCNCCC.O
InChIInChI=1S/C15H33N.H2O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;/h16H,3-15H2,1-2H3;1H2
InChIKeyZPDFZKXIDMBOIH-UHFFFAOYSA-N
XLogP4.08
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propylhexadecan-1-amine
CID 18792182
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
azane;N-propyltetradecan-1-amine
CID 18792183
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847

Frequently Asked Questions

What is the IUPAC name of N-propyldodecan-1-amine;hydrate?
The IUPAC name of N-propyldodecan-1-amine;hydrate (CID 175137397) is N-propyldodecan-1-amine;hydrate.
What is the SMILES notation for N-propyldodecan-1-amine;hydrate?
The canonical SMILES for N-propyldodecan-1-amine;hydrate is CCCCCCCCCCCCNCCC.O.
What is the InChIKey of N-propyldodecan-1-amine;hydrate?
The InChIKey is ZPDFZKXIDMBOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.H2O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;/h16H,3-15H2,1-2H3;1H2.
What are the key properties of N-propyldodecan-1-amine;hydrate?
N-propyldodecan-1-amine;hydrate has a molecular weight of 245.45 g/mol, XLogP of 4.08, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyldodecan-1-amine;hydrate is sourced from PubChem (CID 175137397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).