4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol

C17H29NO — CID 103911194

IUPAC4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
SMILESCC(C)C(NCC(C)(C)CCCO)c1ccccc1
InChIInChI=1S/C17H29NO/c1-14(2)16(15-9-6-5-7-10-15)18-13-17(3,4)11-8-12-19/h5-7,9-10,14,16,18-19H,8,11-13H2,1-4H3
InChIKeyOJHQHXXPKWYKMV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.77
Rot. Bonds8

About 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol

4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol (PubChem CID 103911194) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
PubChem CID103911194
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
SMILESCC(C)C(NCC(C)(C)CCCO)c1ccccc1
InChIInChI=1S/C17H29NO/c1-14(2)16(15-9-6-5-7-10-15)18-13-17(3,4)11-8-12-19/h5-7,9-10,14,16,18-19H,8,11-13H2,1-4H3
InChIKeyOJHQHXXPKWYKMV-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide
CID 106148257
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 103898870
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol (CID 103911194) is 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol is CC(C)C(NCC(C)(C)CCCO)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
The InChIKey is OJHQHXXPKWYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)16(15-9-6-5-7-10-15)18-13-17(3,4)11-8-12-19/h5-7,9-10,14,16,18-19H,8,11-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 103911194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).