2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine

C16H34N2O — CID 62611397

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(CCOC)C(C)CC
InChIInChI=1S/C16H34N2O/c1-5-10-17-16-9-7-8-15(16)13-18(11-12-19-4)14(3)6-2/h14-17H,5-13H2,1-4H3
InChIKeyRNXXGZLWQGYZER-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds10

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 62611397) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
PubChem CID62611397
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN(CCOC)C(C)CC
InChIInChI=1S/C16H34N2O/c1-5-10-17-16-9-7-8-15(16)13-18(11-12-19-4)14(3)6-2/h14-17H,5-13H2,1-4H3
InChIKeyRNXXGZLWQGYZER-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
2-[2-[butan-2-yl(2-methoxyethyl)amino]ethyl]-N-ethylcyclopentan-1-amine
CID 79565993
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62610001
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 82939975
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66256012
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62616036
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]butan-2-amine
CID 62461013

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine (CID 62611397) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN(CCOC)C(C)CC.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is RNXXGZLWQGYZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-10-17-16-9-7-8-15(16)13-18(11-12-19-4)14(3)6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).