3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine

C13H28N2 — CID 83144240

IUPAC3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
SMILESCC(CNCC1CCC(N)C1)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(13(2,3)4)8-15-9-11-5-6-12(14)7-11/h10-12,15H,5-9,14H2,1-4H3
InChIKeyPTKHENSFNQOURE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.39
Rot. Bonds4

About 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine

3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine (PubChem CID 83144240) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
PubChem CID83144240
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
SMILESCC(CNCC1CCC(N)C1)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(13(2,3)4)8-15-9-11-5-6-12(14)7-11/h10-12,15H,5-9,14H2,1-4H3
InChIKeyPTKHENSFNQOURE-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
CID 102913546
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
3-[(2,3-dimethylbutylamino)methyl]cyclohexan-1-amine
CID 64598761
4-[(2,3,3-trimethylbutylamino)methyl]cyclopent-2-en-1-amine
CID 83143501
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
CID 83146431
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023
2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol
CID 165448051
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
CID 165443865
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine (CID 83144240) is 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine is CC(CNCC1CCC(N)C1)C(C)(C)C.
What is the InChIKey of 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine?
The InChIKey is PTKHENSFNQOURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(13(2,3)4)8-15-9-11-5-6-12(14)7-11/h10-12,15H,5-9,14H2,1-4H3.
What are the key properties of 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine?
3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 83144240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).