3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol

C15H30N2O — CID 103787444

IUPAC3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C15H30N2O/c1-3-4-13(7-8-18)10-16-14-9-12(2)17(11-14)15-5-6-15/h12-16,18H,3-11H2,1-2H3
InChIKeyBESDONVWJUAGQJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds8

About 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol

3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol (PubChem CID 103787444) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
PubChem CID103787444
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C15H30N2O/c1-3-4-13(7-8-18)10-16-14-9-12(2)17(11-14)15-5-6-15/h12-16,18H,3-11H2,1-2H3
InChIKeyBESDONVWJUAGQJ-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
CID 115725102
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
CID 103789093
1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
CID 154780291

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol (CID 103787444) is 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNC1CC(C)N(C2CC2)C1.
What is the InChIKey of 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol?
The InChIKey is BESDONVWJUAGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-13(7-8-18)10-16-14-9-12(2)17(11-14)15-5-6-15/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol?
3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103787444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).