N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine

C17H36N2O — CID 80999579

IUPACN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)N(CCOC)C1CCC1CNCC(C)C
InChIInChI=1S/C17H36N2O/c1-6-16(7-2)19(10-11-20-5)17-9-8-15(17)13-18-12-14(3)4/h14-18H,6-13H2,1-5H3
InChIKeyHXLHTLVWLPBVQW-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds11

About N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine

N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine (PubChem CID 80999579) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
PubChem CID80999579
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)N(CCOC)C1CCC1CNCC(C)C
InChIInChI=1S/C17H36N2O/c1-6-16(7-2)19(10-11-20-5)17-9-8-15(17)13-18-12-14(3)4/h14-18H,6-13H2,1-5H3
InChIKeyHXLHTLVWLPBVQW-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998787
N-(2-methoxyethyl)-N-propan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 82953360
2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 80998461
2-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 80998753
2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
CID 81004629
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 55004363
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82952810
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine (CID 80999579) is N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine is CCC(CC)N(CCOC)C1CCC1CNCC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine?
The InChIKey is HXLHTLVWLPBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-16(7-2)19(10-11-20-5)17-9-8-15(17)13-18-12-14(3)4/h14-18H,6-13H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine?
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine is sourced from PubChem (CID 80999579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).