N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine

C14H27NO — CID 104586482

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
SMILESCCC1(CNCC2(C)CCOCC2)CCC1
InChIInChI=1S/C14H27NO/c1-3-14(5-4-6-14)12-15-11-13(2)7-9-16-10-8-13/h15H,3-12H2,1-2H3
InChIKeyLANTUMQVNWEXTH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine (PubChem CID 104586482) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
PubChem CID104586482
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
SMILESCCC1(CNCC2(C)CCOCC2)CCC1
InChIInChI=1S/C14H27NO/c1-3-14(5-4-6-14)12-15-11-13(2)7-9-16-10-8-13/h15H,3-12H2,1-2H3
InChIKeyLANTUMQVNWEXTH-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 114125910
N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586321
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
2-methyl-N-[(4-methyloxan-4-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 104586315
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine (CID 104586482) is N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine is CCC1(CNCC2(C)CCOCC2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine?
The InChIKey is LANTUMQVNWEXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(5-4-6-14)12-15-11-13(2)7-9-16-10-8-13/h15H,3-12H2,1-2H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine is sourced from PubChem (CID 104586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).