N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C17H35N — CID 65195011

IUPACN-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CC1(CNC(C)(C)C)CCC1
InChIInChI=1S/C17H35N/c1-6-8-10-15(7-2)13-17(11-9-12-17)14-18-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeySWOCQLKCBBTJBR-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds8

About N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 65195011) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID65195011
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CC1(CNC(C)(C)C)CCC1
InChIInChI=1S/C17H35N/c1-6-8-10-15(7-2)13-17(11-9-12-17)14-18-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeySWOCQLKCBBTJBR-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-ethylbutyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82930165
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
CID 63507882
[1-(2-ethylhexyl)cyclohexyl]methanamine
CID 63522503
1-[4-(2-ethylhexyl)oxan-4-yl]-N-methylmethanamine
CID 55131214
2-methyl-N-[(1-pentan-2-ylcyclobutyl)methyl]propan-2-amine
CID 107897482
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047
N-[[4-(2-ethylhexyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62906281
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 65195011) is N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CCCCC(CC)CC1(CNC(C)(C)C)CCC1.
What is the InChIKey of N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SWOCQLKCBBTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-8-10-15(7-2)13-17(11-9-12-17)14-18-16(3,4)5/h15,18H,6-14H2,1-5H3.
What are the key properties of N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65195011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).