2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol

C16H32N2O — CID 64826534

IUPAC2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCN1CCCC1C1CCCC1
InChIInChI=1S/C16H32N2O/c1-16(17,13-19)10-4-5-11-18-12-6-9-15(18)14-7-2-3-8-14/h14-15,19H,2-13,17H2,1H3
InChIKeyCAHAHAZWADKMTP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.52
Rot. Bonds7

About 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol

2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol (PubChem CID 64826534) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol
PubChem CID64826534
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCN1CCCC1C1CCCC1
InChIInChI=1S/C16H32N2O/c1-16(17,13-19)10-4-5-11-18-12-6-9-15(18)14-7-2-3-8-14/h14-15,19H,2-13,17H2,1H3
InChIKeyCAHAHAZWADKMTP-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylhexan-1-ol
CID 65322125
methyl 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-methylpentanoate
CID 102728042
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylpentanamide
CID 65324919
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylhexanenitrile
CID 65324959
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
CID 104692730
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethylhexanimidamide
CID 106712234
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-methylpentanamide
CID 82752654
5-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809445
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexane-1-thiol
CID 102729068
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentane-1-thiol
CID 102729051
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809327

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol (CID 64826534) is 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol is CC(N)(CO)CCCCN1CCCC1C1CCCC1.
What is the InChIKey of 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol?
The InChIKey is CAHAHAZWADKMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(17,13-19)10-4-5-11-18-12-6-9-15(18)14-7-2-3-8-14/h14-15,19H,2-13,17H2,1H3.
What are the key properties of 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol?
2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 64826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).