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

C16H34N2 — CID 79855868

IUPAC5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCCCN(CC1CCC(C)(C)C1N)C(C)CC
InChIInChI=1S/C16H34N2/c1-6-8-11-18(13(3)7-2)12-14-9-10-16(4,5)15(14)17/h13-15H,6-12,17H2,1-5H3
InChIKeyVAGJRTURVCXUES-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds7

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

5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79855868) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79855868
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCCCN(CC1CCC(C)(C)C1N)C(C)CC
InChIInChI=1S/C16H34N2/c1-6-8-11-18(13(3)7-2)12-14-9-10-16(4,5)15(14)17/h13-15H,6-12,17H2,1-5H3
InChIKeyVAGJRTURVCXUES-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855167
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
CID 62611425
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865758
5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866470
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
2-[[butan-2-yl(butyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 63493052
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 79855632
1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine
CID 64555313
2,2-dimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79855043
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215

Frequently Asked Questions

What is the IUPAC name of 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79855868) is 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is CCCCN(CC1CCC(C)(C)C1N)C(C)CC.
What is the InChIKey of 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is VAGJRTURVCXUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-11-18(13(3)7-2)12-14-9-10-16(4,5)15(14)17/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79855868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).