5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol

C12H26N2O — CID 62228276

IUPAC5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
SMILESCC(CN1CCCC1)NCCCCCO
InChIInChI=1S/C12H26N2O/c1-12(11-14-8-4-5-9-14)13-7-3-2-6-10-15/h12-13,15H,2-11H2,1H3
InChIKeyAOCFOAYMHXHOAV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds8

About 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol

5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol (PubChem CID 62228276) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
PubChem CID62228276
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
SMILESCC(CN1CCCC1)NCCCCCO
InChIInChI=1S/C12H26N2O/c1-12(11-14-8-4-5-9-14)13-7-3-2-6-10-15/h12-13,15H,2-11H2,1H3
InChIKeyAOCFOAYMHXHOAV-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
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

N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 65093417
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
N-methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 62324218
4-(propan-2-ylamino)butan-1-ol
CID 12950986

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol (CID 62228276) is 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol is CC(CN1CCCC1)NCCCCCO.
What is the InChIKey of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol?
The InChIKey is AOCFOAYMHXHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(11-14-8-4-5-9-14)13-7-3-2-6-10-15/h12-13,15H,2-11H2,1H3.
What are the key properties of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol?
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 62228276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).