1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol

C13H29N3O — CID 64820509

IUPAC1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
SMILESCC(CC(C)(O)CN)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-12(10-13(2,17)11-14)15(3)8-9-16-6-4-5-7-16/h12,17H,4-11,14H2,1-3H3
InChIKeyZKZVOLAKDWNAIW-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.50
Rot. Bonds7

About 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol

1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol (PubChem CID 64820509) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
PubChem CID64820509
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
SMILESCC(CC(C)(O)CN)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-12(10-13(2,17)11-14)15(3)8-9-16-6-4-5-7-16/h12,17H,4-11,14H2,1-3H3
InChIKeyZKZVOLAKDWNAIW-UHFFFAOYSA-N
XLogP0.50
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64819128
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
3-amino-2-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64900468
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
2-N-methyl-2-N-(2-morpholin-4-ylethyl)propane-1,2-diamine;dihydrochloride
CID 119924809
2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708266
1-amino-4-(dipropylamino)-2-methylpentan-2-ol
CID 64819639
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol (CID 64820509) is 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol is CC(CC(C)(O)CN)N(C)CCN1CCCC1.
What is the InChIKey of 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol?
The InChIKey is ZKZVOLAKDWNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(10-13(2,17)11-14)15(3)8-9-16-6-4-5-7-16/h12,17H,4-11,14H2,1-3H3.
What are the key properties of 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol?
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol is sourced from PubChem (CID 64820509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).