5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol

C15H26N2O — CID 107316866

IUPAC5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
SMILESCc1cc(C)cc(C(CN)NCCCCCO)c1
InChIInChI=1S/C15H26N2O/c1-12-8-13(2)10-14(9-12)15(11-16)17-6-4-3-5-7-18/h8-10,15,17-18H,3-7,11,16H2,1-2H3
InChIKeyZSRUMUGUEWIUNQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.06
Rot. Bonds8

About 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol (PubChem CID 107316866) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
PubChem CID107316866
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
SMILESCc1cc(C)cc(C(CN)NCCCCCO)c1
InChIInChI=1S/C15H26N2O/c1-12-8-13(2)10-14(9-12)15(11-16)17-6-4-3-5-7-18/h8-10,15,17-18H,3-7,11,16H2,1-2H3
InChIKeyZSRUMUGUEWIUNQ-UHFFFAOYSA-N
XLogP2.06
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]butan-1-ol
CID 106841280
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
CID 65376786
1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616122
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
CID 107316969
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107317095
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol (CID 107316866) is 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol is Cc1cc(C)cc(C(CN)NCCCCCO)c1.
What is the InChIKey of 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol?
The InChIKey is ZSRUMUGUEWIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-8-13(2)10-14(9-12)15(11-16)17-6-4-3-5-7-18/h8-10,15,17-18H,3-7,11,16H2,1-2H3.
What are the key properties of 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).