nonan-1-amine;dihydrate

C9H25NO2 — CID 174770026

IUPACnonan-1-amine;dihydrate
SMILESCCCCCCCCCN.O.O
InChIInChI=1S/C9H21N.2H2O/c1-2-3-4-5-6-7-8-9-10;;/h2-10H2,1H3;2*1H2
InChIKeyZKIHXAFGBNDACZ-UHFFFAOYSA-N
MW179.30 g/mol
LogP1.05
Rot. Bonds7

About nonan-1-amine;dihydrate

nonan-1-amine;dihydrate (PubChem CID 174770026) has the molecular formula C9H25NO2 and a molecular weight of 179.30 g/mol. Its IUPAC name is nonan-1-amine;dihydrate.

Molecular Properties

Compound Namenonan-1-amine;dihydrate
PubChem CID174770026
Molecular FormulaC9H25NO2
Molecular Weight179.30 g/mol
Exact Mass179.19
IUPAC Namenonan-1-amine;dihydrate
SMILESCCCCCCCCCN.O.O
InChIInChI=1S/C9H21N.2H2O/c1-2-3-4-5-6-7-8-9-10;;/h2-10H2,1H3;2*1H2
InChIKeyZKIHXAFGBNDACZ-UHFFFAOYSA-N
XLogP1.05
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 51.05
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

octadecan-1-amine;hydrate
CID 158026408
hexan-1-amine;dihydrate
CID 174459608
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
dodecan-1-amine;ethene;hydrate
CID 174440124
hexadecan-1-amine;hydroiodide
CID 173125534
methanamine;tridecan-1-amine
CID 22649914
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039

Frequently Asked Questions

What is the IUPAC name of nonan-1-amine;dihydrate?
The IUPAC name of nonan-1-amine;dihydrate (CID 174770026) is nonan-1-amine;dihydrate.
What is the SMILES notation for nonan-1-amine;dihydrate?
The canonical SMILES for nonan-1-amine;dihydrate is CCCCCCCCCN.O.O.
What is the InChIKey of nonan-1-amine;dihydrate?
The InChIKey is ZKIHXAFGBNDACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.2H2O/c1-2-3-4-5-6-7-8-9-10;;/h2-10H2,1H3;2*1H2.
What are the key properties of nonan-1-amine;dihydrate?
nonan-1-amine;dihydrate has a molecular weight of 179.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-1-amine;dihydrate is sourced from PubChem (CID 174770026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).