cyclopropane;N-dodecoxypropan-1-amine

C18H39NO — CID 130367915

IUPACcyclopropane;N-dodecoxypropan-1-amine
SMILESC1CC1.CCCCCCCCCCCCONCCC
InChIInChI=1S/C15H33NO.C3H6/c1-3-5-6-7-8-9-10-11-12-13-15-17-16-14-4-2;1-2-3-1/h16H,3-15H2,1-2H3;1-3H2
InChIKeyQMTYJIXUMCLINL-UHFFFAOYSA-N
MW285.52 g/mol
LogP6.01
Rot. Bonds14

About cyclopropane;N-dodecoxypropan-1-amine

cyclopropane;N-dodecoxypropan-1-amine (PubChem CID 130367915) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is cyclopropane;N-dodecoxypropan-1-amine.

Molecular Properties

Compound Namecyclopropane;N-dodecoxypropan-1-amine
PubChem CID130367915
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Namecyclopropane;N-dodecoxypropan-1-amine
SMILESC1CC1.CCCCCCCCCCCCONCCC
InChIInChI=1S/C15H33NO.C3H6/c1-3-5-6-7-8-9-10-11-12-13-15-17-16-14-4-2;1-2-3-1/h16H,3-15H2,1-2H3;1-3H2
InChIKeyQMTYJIXUMCLINL-UHFFFAOYSA-N
XLogP6.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 56.01
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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Related Compounds

N-octadecoxypropan-1-amine
CID 18519352
N-(2-hexoxyethoxy)propan-1-amine
CID 88792520
CID 174727700
CID 174727700
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
N-butoxydecan-1-amine
CID 154317996
N-heptoxyethanamine
CID 88792401
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
CID 159860963
CID 159860963
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-dodecoxypropan-1-amine?
The IUPAC name of cyclopropane;N-dodecoxypropan-1-amine (CID 130367915) is cyclopropane;N-dodecoxypropan-1-amine.
What is the SMILES notation for cyclopropane;N-dodecoxypropan-1-amine?
The canonical SMILES for cyclopropane;N-dodecoxypropan-1-amine is C1CC1.CCCCCCCCCCCCONCCC.
What is the InChIKey of cyclopropane;N-dodecoxypropan-1-amine?
The InChIKey is QMTYJIXUMCLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO.C3H6/c1-3-5-6-7-8-9-10-11-12-13-15-17-16-14-4-2;1-2-3-1/h16H,3-15H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;N-dodecoxypropan-1-amine?
cyclopropane;N-dodecoxypropan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-dodecoxypropan-1-amine is sourced from PubChem (CID 130367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).