N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine

C14H29NO — CID 115716677

IUPACN-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
SMILESCOCC(NCCCCC(C)(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)9-5-6-10-15-13(11-16-4)12-7-8-12/h12-13,15H,5-11H2,1-4H3
InChIKeyZSSAOLSMCGNBOC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine (PubChem CID 115716677) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
PubChem CID115716677
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
SMILESCOCC(NCCCCC(C)(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)9-5-6-10-15-13(11-16-4)12-7-8-12/h12-13,15H,5-11H2,1-4H3
InChIKeyZSSAOLSMCGNBOC-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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

N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 115721624
N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
CID 104926339
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
CID 66233363
N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 103829362
N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 81338401
1-cyclopropyl-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717505
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine (CID 115716677) is N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine is COCC(NCCCCC(C)(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine?
The InChIKey is ZSSAOLSMCGNBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)9-5-6-10-15-13(11-16-4)12-7-8-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 115716677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).