1-cyclopropyl-1-ethoxynonan-2-amine

C14H29NO — CID 116723047

IUPAC1-cyclopropyl-1-ethoxynonan-2-amine
SMILESCCCCCCCC(N)C(OCC)C1CC1
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-9-13(15)14(16-4-2)12-10-11-12/h12-14H,3-11,15H2,1-2H3
InChIKeyAQPUTJURPWOPEL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds10

About 1-cyclopropyl-1-ethoxynonan-2-amine

1-cyclopropyl-1-ethoxynonan-2-amine (PubChem CID 116723047) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxynonan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxynonan-2-amine
PubChem CID116723047
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclopropyl-1-ethoxynonan-2-amine
SMILESCCCCCCCC(N)C(OCC)C1CC1
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-9-13(15)14(16-4-2)12-10-11-12/h12-14H,3-11,15H2,1-2H3
InChIKeyAQPUTJURPWOPEL-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-ethoxytetradecan-2-ol
CID 116712966
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316
2-cyclopropylundecan-3-amine
CID 115835648
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
1-cyclohexyl-1-ethoxy-5-methylhexan-2-amine
CID 116771942
1-cyclopropyl-1-ethoxy-3-ethylpentan-2-amine
CID 116723204
tritriacontane-16,17-diamine
CID 57106039
hexadecane-6,7-diamine
CID 57245820
hexatriacontane-18,19-diamine
CID 57054547
1-cyclopropyl-1-ethoxy-3,3-dimethylbutan-2-amine
CID 116723219

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxynonan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxynonan-2-amine (CID 116723047) is 1-cyclopropyl-1-ethoxynonan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxynonan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxynonan-2-amine is CCCCCCCC(N)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxynonan-2-amine?
The InChIKey is AQPUTJURPWOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-7-8-9-13(15)14(16-4-2)12-10-11-12/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxynonan-2-amine?
1-cyclopropyl-1-ethoxynonan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxynonan-2-amine is sourced from PubChem (CID 116723047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).