2-(2-methylpyrrolidin-1-yl)octan-1-amine

C13H28N2 — CID 60975076

IUPAC2-(2-methylpyrrolidin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCCC1C
InChIInChI=1S/C13H28N2/c1-3-4-5-6-9-13(11-14)15-10-7-8-12(15)2/h12-13H,3-11,14H2,1-2H3
InChIKeyVFAAYPVRDBERHP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds7

About 2-(2-methylpyrrolidin-1-yl)octan-1-amine

2-(2-methylpyrrolidin-1-yl)octan-1-amine (PubChem CID 60975076) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)octan-1-amine
PubChem CID60975076
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(2-methylpyrrolidin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCCC1C
InChIInChI=1S/C13H28N2/c1-3-4-5-6-9-13(11-14)15-10-7-8-12(15)2/h12-13H,3-11,14H2,1-2H3
InChIKeyVFAAYPVRDBERHP-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopentylpyrrolidin-1-yl)octan-1-amine
CID 63465595
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)nonan-1-amine
CID 43628091
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)heptan-1-amine
CID 65319223
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
2-(2-ethylpiperidin-1-yl)nonan-1-amine
CID 43266376
4-ethylsulfanyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 116504003
2-(2-methyl-3-nonyl-azacyclododec-1-yl)tridecan-1-amine
CID 71002791
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 103225177
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)octan-1-amine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)octan-1-amine (CID 60975076) is 2-(2-methylpyrrolidin-1-yl)octan-1-amine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)octan-1-amine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)octan-1-amine is CCCCCCC(CN)N1CCCC1C.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)octan-1-amine?
The InChIKey is VFAAYPVRDBERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-5-6-9-13(11-14)15-10-7-8-12(15)2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)octan-1-amine?
2-(2-methylpyrrolidin-1-yl)octan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)octan-1-amine is sourced from PubChem (CID 60975076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).