N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

C15H30N2O — CID 80999221

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCCN(CC1CCCO1)C1CCC1CNC(C)C
InChIInChI=1S/C15H30N2O/c1-4-17(11-14-6-5-9-18-14)15-8-7-13(15)10-16-12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyQOEQFCPTWXJDLP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds7

About N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine

N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (PubChem CID 80999221) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
PubChem CID80999221
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCCN(CC1CCCO1)C1CCC1CNC(C)C
InChIInChI=1S/C15H30N2O/c1-4-17(11-14-6-5-9-18-14)15-8-7-13(15)10-16-12(2)3/h12-16H,4-11H2,1-3H3
InChIKeyQOEQFCPTWXJDLP-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
N,N-dibutyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80997887
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62437130
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561605
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859970
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine (CID 80999221) is N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is CCN(CC1CCCO1)C1CCC1CNC(C)C.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
The InChIKey is QOEQFCPTWXJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-17(11-14-6-5-9-18-14)15-8-7-13(15)10-16-12(2)3/h12-16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine?
N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80999221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).