3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol

C13H29N3O — CID 114357451

IUPAC3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
SMILESCC(C)C(N)C(CO)N(C)CC1CCCN1C
InChIInChI=1S/C13H29N3O/c1-10(2)13(14)12(9-17)16(4)8-11-6-5-7-15(11)3/h10-13,17H,5-9,14H2,1-4H3
InChIKeyCXEYQISYAXWHCR-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.36
Rot. Bonds6

About 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol

3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol (PubChem CID 114357451) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
PubChem CID114357451
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
SMILESCC(C)C(N)C(CO)N(C)CC1CCCN1C
InChIInChI=1S/C13H29N3O/c1-10(2)13(14)12(9-17)16(4)8-11-6-5-7-15(11)3/h10-13,17H,5-9,14H2,1-4H3
InChIKeyCXEYQISYAXWHCR-UHFFFAOYSA-N
XLogP0.36
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
CID 114357457
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79308781

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol (CID 114357451) is 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol is CC(C)C(N)C(CO)N(C)CC1CCCN1C.
What is the InChIKey of 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
The InChIKey is CXEYQISYAXWHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)13(14)12(9-17)16(4)8-11-6-5-7-15(11)3/h10-13,17H,5-9,14H2,1-4H3.
What are the key properties of 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol?
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 114357451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).