N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol

C14H33NO — CID 169214639

IUPACN-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
SMILESCCCCCO.CCCCN(C)CC(C)C
InChIInChI=1S/C9H21N.C5H12O/c1-5-6-7-10(4)8-9(2)3;1-2-3-4-5-6/h9H,5-8H2,1-4H3;6H,2-5H2,1H3
InChIKeyFGMKPXIENTVJRU-UHFFFAOYSA-N
MW231.42 g/mol
LogP3.54
Rot. Bonds8

About N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol

N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol (PubChem CID 169214639) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
PubChem CID169214639
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC NameN-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
SMILESCCCCCO.CCCCN(C)CC(C)C
InChIInChI=1S/C9H21N.C5H12O/c1-5-6-7-10(4)8-9(2)3;1-2-3-4-5-6/h9H,5-8H2,1-4H3;6H,2-5H2,1H3
InChIKeyFGMKPXIENTVJRU-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(octyl)amino]butan-1-ol
CID 87238675
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
1-[butyl(methyl)amino]butane-2,3-diol
CID 123630501
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
hexan-1-ol;2-methylpropane
CID 159802705
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol?
The IUPAC name of N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol (CID 169214639) is N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol?
The canonical SMILES for N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol is CCCCCO.CCCCN(C)CC(C)C.
What is the InChIKey of N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol?
The InChIKey is FGMKPXIENTVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C5H12O/c1-5-6-7-10(4)8-9(2)3;1-2-3-4-5-6/h9H,5-8H2,1-4H3;6H,2-5H2,1H3.
What are the key properties of N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol?
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol has a molecular weight of 231.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol is sourced from PubChem (CID 169214639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).