N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine

C15H29NO — CID 103917446

IUPACN-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCOC1CC(NC2CCCC(C(C)C)C2)C1
InChIInChI=1S/C15H29NO/c1-4-17-15-9-14(10-15)16-13-7-5-6-12(8-13)11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyRFSMONJMABUMLW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine

N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 103917446) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID103917446
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCOC1CC(NC2CCCC(C(C)C)C2)C1
InChIInChI=1S/C15H29NO/c1-4-17-15-9-14(10-15)16-13-7-5-6-12(8-13)11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyRFSMONJMABUMLW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632
N-(3-ethoxycyclobutyl)-2,6-dimethylcyclohexan-1-amine
CID 103917407
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
ethyl 4-[(3-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 103922833
3-ethoxy-N-ethylcyclohexan-1-amine
CID 79619303
N-(2-cyclopropylpropyl)-3-ethoxycyclobutan-1-amine
CID 115903592
1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 103748264
2-methyl-N-(3-propan-2-ylcyclohexyl)oxan-4-amine
CID 103910632
N-hexyl-3-propan-2-ylcyclohexan-1-amine
CID 107447898
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-(3-propan-2-ylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847608
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentan-1-ol
CID 112553163

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine (CID 103917446) is N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine is CCOC1CC(NC2CCCC(C(C)C)C2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is RFSMONJMABUMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-17-15-9-14(10-15)16-13-7-5-6-12(8-13)11(2)3/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine?
N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103917446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).