12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol

C20H42N2O — CID 146259248

IUPAC12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol
SMILESCC(C)CNCCCCCCCCCCCC(O)N1CCCC1
InChIInChI=1S/C20H42N2O/c1-19(2)18-21-15-11-9-7-5-3-4-6-8-10-14-20(23)22-16-12-13-17-22/h19-21,23H,3-18H2,1-2H3
InChIKeyOVNRTWSPOVCSJG-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.55
Rot. Bonds15

About 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol

12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol (PubChem CID 146259248) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol.

Molecular Properties

Compound Name12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol
PubChem CID146259248
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol
SMILESCC(C)CNCCCCCCCCCCCC(O)N1CCCC1
InChIInChI=1S/C20H42N2O/c1-19(2)18-21-15-11-9-7-5-3-4-6-8-10-14-20(23)22-16-12-13-17-22/h19-21,23H,3-18H2,1-2H3
InChIKeyOVNRTWSPOVCSJG-UHFFFAOYSA-N
XLogP4.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.55
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

4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
3-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207801

Frequently Asked Questions

What is the IUPAC name of 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol?
The IUPAC name of 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol (CID 146259248) is 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol.
What is the SMILES notation for 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol?
The canonical SMILES for 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol is CC(C)CNCCCCCCCCCCCC(O)N1CCCC1.
What is the InChIKey of 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol?
The InChIKey is OVNRTWSPOVCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O/c1-19(2)18-21-15-11-9-7-5-3-4-6-8-10-14-20(23)22-16-12-13-17-22/h19-21,23H,3-18H2,1-2H3.
What are the key properties of 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol?
12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol has a molecular weight of 326.57 g/mol, XLogP of 4.55, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol is sourced from PubChem (CID 146259248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).