3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol

C10H21NO — CID 162730779

IUPAC3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol
SMILESC=C(C)CN(C)C(CC)CCO
InChIInChI=1S/C10H21NO/c1-5-10(6-7-12)11(4)8-9(2)3/h10,12H,2,5-8H2,1,3-4H3
InChIKeyYQBFUDPLLLFUBH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds6

About 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol

3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol (PubChem CID 162730779) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol
PubChem CID162730779
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol
SMILESC=C(C)CN(C)C(CC)CCO
InChIInChI=1S/C10H21NO/c1-5-10(6-7-12)11(4)8-9(2)3/h10,12H,2,5-8H2,1,3-4H3
InChIKeyYQBFUDPLLLFUBH-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine
CID 170706540
3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
CID 64899677
N-ethyl-2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 62015880
3-[methyl(propyl)amino]hexan-1-ol
CID 91433041
N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073536
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol?
The IUPAC name of 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol (CID 162730779) is 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol?
The canonical SMILES for 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol is C=C(C)CN(C)C(CC)CCO.
What is the InChIKey of 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol?
The InChIKey is YQBFUDPLLLFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(6-7-12)11(4)8-9(2)3/h10,12H,2,5-8H2,1,3-4H3.
What are the key properties of 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol?
3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylprop-2-enyl)amino]pentan-1-ol is sourced from PubChem (CID 162730779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).