5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol

C17H30N2O — CID 107204642

IUPAC5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
SMILESCNC(c1ccccc1)C(C)CN(C)CCCCCO
InChIInChI=1S/C17H30N2O/c1-15(14-19(3)12-8-5-9-13-20)17(18-2)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,20H,5,8-9,12-14H2,1-3H3
InChIKeyMRCYGEVXMULJBM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.68
Rot. Bonds10

About 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol

5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol (PubChem CID 107204642) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
PubChem CID107204642
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
SMILESCNC(c1ccccc1)C(C)CN(C)CCCCCO
InChIInChI=1S/C17H30N2O/c1-15(14-19(3)12-8-5-9-13-20)17(18-2)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,20H,5,8-9,12-14H2,1-3H3
InChIKeyMRCYGEVXMULJBM-UHFFFAOYSA-N
XLogP2.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
CID 107204531
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 63495953
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
CID 107200128

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol (CID 107204642) is 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol is CNC(c1ccccc1)C(C)CN(C)CCCCCO.
What is the InChIKey of 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol?
The InChIKey is MRCYGEVXMULJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(14-19(3)12-8-5-9-13-20)17(18-2)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,20H,5,8-9,12-14H2,1-3H3.
What are the key properties of 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol?
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol is sourced from PubChem (CID 107204642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).