[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol

C12H26N2O — CID 115905715

IUPAC[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
SMILESCC(C)NCCCCN1CCCC1CO
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-3-4-8-14-9-5-6-12(14)10-15/h11-13,15H,3-10H2,1-2H3
InChIKeyRLYMSKCXTZVQIA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds7

About [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol

[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol (PubChem CID 115905715) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
PubChem CID115905715
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
SMILESCC(C)NCCCCN1CCCC1CO
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-3-4-8-14-9-5-6-12(14)10-15/h11-13,15H,3-10H2,1-2H3
InChIKeyRLYMSKCXTZVQIA-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol
CID 110010515
N-propan-2-yl-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061777
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 61409599
[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
CID 97231893
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731

Frequently Asked Questions

What is the IUPAC name of [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol (CID 115905715) is [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol is CC(C)NCCCCN1CCCC1CO.
What is the InChIKey of [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol?
The InChIKey is RLYMSKCXTZVQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)13-7-3-4-8-14-9-5-6-12(14)10-15/h11-13,15H,3-10H2,1-2H3.
What are the key properties of [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol?
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115905715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).