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

C9H21NO — CID 104554038

IUPAC2-[methyl(pentan-3-yl)amino]propan-1-ol
SMILESCCC(CC)N(C)C(C)CO
InChIInChI=1S/C9H21NO/c1-5-9(6-2)10(4)8(3)7-11/h8-9,11H,5-7H2,1-4H3
InChIKeyMPPPLNOZLXVPOO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds5

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

2-[methyl(pentan-3-yl)amino]propan-1-ol (PubChem CID 104554038) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[methyl(pentan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(pentan-3-yl)amino]propan-1-ol
PubChem CID104554038
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[methyl(pentan-3-yl)amino]propan-1-ol
SMILESCCC(CC)N(C)C(C)CO
InChIInChI=1S/C9H21NO/c1-5-9(6-2)10(4)8(3)7-11/h8-9,11H,5-7H2,1-4H3
InChIKeyMPPPLNOZLXVPOO-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(pentan-3-yl)amino]pentanoic acid
CID 62213096
1-N-ethyl-3-N-methyl-3-N-pentan-3-ylbutane-1,3-diamine
CID 62434112
2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
CID 118162058
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
CID 144890073
2-[(hydroxyamino)-methylamino]propan-1-ol
CID 123757066
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112551537
2-[(2-amino-1-thiophen-3-ylbutyl)-methylamino]propan-1-ol
CID 104551255

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(pentan-3-yl)amino]propan-1-ol (CID 104554038) is 2-[methyl(pentan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(pentan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(pentan-3-yl)amino]propan-1-ol is CCC(CC)N(C)C(C)CO.
What is the InChIKey of 2-[methyl(pentan-3-yl)amino]propan-1-ol?
The InChIKey is MPPPLNOZLXVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(6-2)10(4)8(3)7-11/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-[methyl(pentan-3-yl)amino]propan-1-ol?
2-[methyl(pentan-3-yl)amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 104554038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).