5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

C16H34N2 — CID 79866470

IUPAC5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(C)CN(CC(C)C)CC1CCC(C)(C)C1N
InChIInChI=1S/C16H34N2/c1-12(2)9-18(10-13(3)4)11-14-7-8-16(5,6)15(14)17/h12-15H,7-11,17H2,1-6H3
InChIKeyZQJPSPBSEQFEGA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.36
Rot. Bonds6

About 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79866470) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79866470
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(C)CN(CC(C)C)CC1CCC(C)(C)C1N
InChIInChI=1S/C16H34N2/c1-12(2)9-18(10-13(3)4)11-14-7-8-16(5,6)15(14)17/h12-15H,7-11,17H2,1-6H3
InChIKeyZQJPSPBSEQFEGA-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855868
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865758
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855167
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 79855632
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
2,2-dimethyl-5-[[methyl(2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 79855430
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743684

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79866470) is 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is CC(C)CN(CC(C)C)CC1CCC(C)(C)C1N.
What is the InChIKey of 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is ZQJPSPBSEQFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)9-18(10-13(3)4)11-14-7-8-16(5,6)15(14)17/h12-15H,7-11,17H2,1-6H3.
What are the key properties of 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79866470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).