5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

C13H28N2 — CID 79865883

IUPAC5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCC(C)N(C)CC1CCC(C)(C)C1N
InChIInChI=1S/C13H28N2/c1-6-10(2)15(5)9-11-7-8-13(3,4)12(11)14/h10-12H,6-9,14H2,1-5H3
InChIKeyDZDIPEFTDBEUEQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79865883) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79865883
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCC(C)N(C)CC1CCC(C)(C)C1N
InChIInChI=1S/C13H28N2/c1-6-10(2)15(5)9-11-7-8-13(3,4)12(11)14/h10-12H,6-9,14H2,1-5H3
InChIKeyDZDIPEFTDBEUEQ-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855868
5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866470
2-[[butan-2-yl(methyl)amino]methyl]cyclopentan-1-amine
CID 62615734
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865758
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 79855632
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855167
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338
2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554577

Frequently Asked Questions

What is the IUPAC name of 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79865883) is 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is CCC(C)N(C)CC1CCC(C)(C)C1N.
What is the InChIKey of 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is DZDIPEFTDBEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-10(2)15(5)9-11-7-8-13(3,4)12(11)14/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79865883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).