2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol

C14H30N2O — CID 113419338

IUPAC2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
SMILESCCCC1CCN(C(C)CC(C)(CO)NC)C1
InChIInChI=1S/C14H30N2O/c1-5-6-13-7-8-16(10-13)12(2)9-14(3,11-17)15-4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyXLFSLZUJOADSKD-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol

2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 113419338) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
PubChem CID113419338
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
SMILESCCCC1CCN(C(C)CC(C)(CO)NC)C1
InChIInChI=1S/C14H30N2O/c1-5-6-13-7-8-16(10-13)12(2)9-14(3,11-17)15-4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyXLFSLZUJOADSKD-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64827462
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64790195
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809592
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 114088007
2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
CID 64809388
2-methyl-2-(methylamino)-4-[methyl(pentan-2-yl)amino]pentan-1-ol
CID 64797735
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
CID 55069814
4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64786639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol (CID 113419338) is 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol is CCCC1CCN(C(C)CC(C)(CO)NC)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is XLFSLZUJOADSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-13-7-8-16(10-13)12(2)9-14(3,11-17)15-4/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol?
2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 113419338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).