1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C18H38N2O — CID 64850582

IUPAC1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)COC1CC(NCC(CC(C)C)N(C)C)C1(C)C
InChIInChI=1S/C18H38N2O/c1-13(2)9-15(20(7)8)11-19-16-10-17(18(16,5)6)21-12-14(3)4/h13-17,19H,9-12H2,1-8H3
InChIKeyYERHIJZIHJNEBW-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.39
Rot. Bonds9

About 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 64850582) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID64850582
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)COC1CC(NCC(CC(C)C)N(C)C)C1(C)C
InChIInChI=1S/C18H38N2O/c1-13(2)9-15(20(7)8)11-19-16-10-17(18(16,5)6)21-12-14(3)4/h13-17,19H,9-12H2,1-8H3
InChIKeyYERHIJZIHJNEBW-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine
CID 79917066
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106008631
2,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 106391891
1-N-(3,5-dimethylcyclohexyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 64724441
1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine
CID 80559919
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
CID 103921361

Frequently Asked Questions

What is the IUPAC name of 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 64850582) is 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)COC1CC(NCC(CC(C)C)N(C)C)C1(C)C.
What is the InChIKey of 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is YERHIJZIHJNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-13(2)9-15(20(7)8)11-19-16-10-17(18(16,5)6)21-12-14(3)4/h13-17,19H,9-12H2,1-8H3.
What are the key properties of 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 298.51 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 64850582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).