N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine

C16H31NO — CID 103273010

IUPACN-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCC1(OC2CCCCC2)CCC1
InChIInChI=1S/C16H31NO/c1-14(2)13-17-12-11-16(9-6-10-16)18-15-7-4-3-5-8-15/h14-15,17H,3-13H2,1-2H3
InChIKeyGWYHOWJHAXAAJE-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine

N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine (PubChem CID 103273010) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
PubChem CID103273010
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCC1(OC2CCCCC2)CCC1
InChIInChI=1S/C16H31NO/c1-14(2)13-17-12-11-16(9-6-10-16)18-15-7-4-3-5-8-15/h14-15,17H,3-13H2,1-2H3
InChIKeyGWYHOWJHAXAAJE-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
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-[2-[1-(cyclopentylmethoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274232
N-[2-(1-cyclopentyloxycyclobutyl)ethyl]cyclopropanamine
CID 103273019
2-methyl-N-[2-[1-(4-methylpentoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273231
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
2-methyl-N-[2-[1-[2-(1-methylpyrrolidin-2-yl)ethoxy]cyclobutyl]ethyl]propan-1-amine
CID 103273693
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
2-methyl-N-[2-[1-(2-pyrrolidin-1-ylethoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273660
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273223
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine (CID 103273010) is N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCC1(OC2CCCCC2)CCC1.
What is the InChIKey of N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is GWYHOWJHAXAAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(2)13-17-12-11-16(9-6-10-16)18-15-7-4-3-5-8-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine?
N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103273010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).