ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate

C14H25NO2 — CID 103563540

IUPACethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC2CC2)CC(C(C)C)C1
InChIInChI=1S/C14H25NO2/c1-4-17-13(16)14(15-9-11-5-6-11)7-12(8-14)10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyCFBQAAMMANKXNJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds6

About ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate

ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate (PubChem CID 103563540) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate
PubChem CID103563540
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC2CC2)CC(C(C)C)C1
InChIInChI=1S/C14H25NO2/c1-4-17-13(16)14(15-9-11-5-6-11)7-12(8-14)10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyCFBQAAMMANKXNJ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
CID 103563541
ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894217
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl 1-(4-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563427
ethyl 1-acetyl-3-propan-2-ylcyclobutane-1-carboxylate
CID 79560591
ethyl 4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carboxylate
CID 65089118
ethyl 1-(3-methoxyanilino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563491
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate (CID 103563540) is ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate is CCOC(=O)C1(NCC2CC2)CC(C(C)C)C1.
What is the InChIKey of ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate?
The InChIKey is CFBQAAMMANKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-17-13(16)14(15-9-11-5-6-11)7-12(8-14)10(2)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate?
ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 103563540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).