3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol

C16H35NO — CID 107870720

IUPAC3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H35NO/c1-7-16(18,8-2)13-17(11-9-14(3)4)12-10-15(5)6/h14-15,18H,7-13H2,1-6H3
InChIKeyJCPMPJXDEQOVFT-UHFFFAOYSA-N
MW257.46 g/mol
LogP3.93
Rot. Bonds10

About 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol

3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol (PubChem CID 107870720) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
PubChem CID107870720
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C16H35NO/c1-7-16(18,8-2)13-17(11-9-14(3)4)12-10-15(5)6/h14-15,18H,7-13H2,1-6H3
InChIKeyJCPMPJXDEQOVFT-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
CID 115919417
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
CID 107871178
2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
CID 107871175
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
CID 107871114
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol
CID 114495808
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
CID 115919423
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
CID 114496644
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol (CID 107870720) is 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol?
The InChIKey is JCPMPJXDEQOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-7-16(18,8-2)13-17(11-9-14(3)4)12-10-15(5)6/h14-15,18H,7-13H2,1-6H3.
What are the key properties of 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol?
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol has a molecular weight of 257.46 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 107870720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).