(4-amino-1-pentylpyrrolidin-3-yl)methanol

C10H22N2O — CID 68776166

IUPAC(4-amino-1-pentylpyrrolidin-3-yl)methanol
SMILESCCCCCN1CC(N)C(CO)C1
InChIInChI=1S/C10H22N2O/c1-2-3-4-5-12-6-9(8-13)10(11)7-12/h9-10,13H,2-8,11H2,1H3
InChIKeyJCIPUUISQUWPKC-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds5

About (4-amino-1-pentylpyrrolidin-3-yl)methanol

(4-amino-1-pentylpyrrolidin-3-yl)methanol (PubChem CID 68776166) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (4-amino-1-pentylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4-amino-1-pentylpyrrolidin-3-yl)methanol
PubChem CID68776166
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(4-amino-1-pentylpyrrolidin-3-yl)methanol
SMILESCCCCCN1CC(N)C(CO)C1
InChIInChI=1S/C10H22N2O/c1-2-3-4-5-12-6-9(8-13)10(11)7-12/h9-10,13H,2-8,11H2,1H3
InChIKeyJCIPUUISQUWPKC-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-pentylpyrrolidin-3-yl)methanol?
The IUPAC name of (4-amino-1-pentylpyrrolidin-3-yl)methanol (CID 68776166) is (4-amino-1-pentylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (4-amino-1-pentylpyrrolidin-3-yl)methanol?
The canonical SMILES for (4-amino-1-pentylpyrrolidin-3-yl)methanol is CCCCCN1CC(N)C(CO)C1.
What is the InChIKey of (4-amino-1-pentylpyrrolidin-3-yl)methanol?
The InChIKey is JCIPUUISQUWPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-3-4-5-12-6-9(8-13)10(11)7-12/h9-10,13H,2-8,11H2,1H3.
What are the key properties of (4-amino-1-pentylpyrrolidin-3-yl)methanol?
(4-amino-1-pentylpyrrolidin-3-yl)methanol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-pentylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 68776166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).