4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol

C13H26N2O — CID 115725102

IUPAC4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-10(5-6-16)8-14-12-7-11(2)15(9-12)13-3-4-13/h10-14,16H,3-9H2,1-2H3
InChIKeyKTXDFHVIUZJPJV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds6

About 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol

4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol (PubChem CID 115725102) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
PubChem CID115725102
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CC(C)N(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-10(5-6-16)8-14-12-7-11(2)15(9-12)13-3-4-13/h10-14,16H,3-9H2,1-2H3
InChIKeyKTXDFHVIUZJPJV-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
CID 103787444
5-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107302983
(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
CID 103789093
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
4-(azetidin-3-ylamino)-3-methylbutan-1-ol
CID 66090650
1-(3-chloro-5-fluorophenyl)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]ethanol
CID 154780291
N-butan-2-yl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115705721
3-methyl-4-(thietan-3-ylamino)butan-1-ol
CID 135393311
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719729
1-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719166
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol (CID 115725102) is 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNC1CC(C)N(C2CC2)C1.
What is the InChIKey of 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol?
The InChIKey is KTXDFHVIUZJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(5-6-16)8-14-12-7-11(2)15(9-12)13-3-4-13/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol?
4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 115725102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).