2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine

C16H27NO — CID 65255864

IUPAC2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
SMILESCCCc1ccc(OCCCC(C)(C)CN)cc1
InChIInChI=1S/C16H27NO/c1-4-6-14-7-9-15(10-8-14)18-12-5-11-16(2,3)13-17/h7-10H,4-6,11-13,17H2,1-3H3
InChIKeyKCMJONMAYJWNIQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds8

About 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine

2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine (PubChem CID 65255864) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
PubChem CID65255864
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
SMILESCCCc1ccc(OCCCC(C)(C)CN)cc1
InChIInChI=1S/C16H27NO/c1-4-6-14-7-9-15(10-8-14)18-12-5-11-16(2,3)13-17/h7-10H,4-6,11-13,17H2,1-3H3
InChIKeyKCMJONMAYJWNIQ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
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

2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
2,2-dimethyl-5-(4-phenylphenoxy)pentan-1-amine
CID 65256122
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 55085639
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
1-nonoxy-4-propylbenzene
CID 118632119
2,2-dimethyl-4-(4-propylphenoxy)butanethioamide
CID 65247685
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
2,2-dimethyl-4-(4-propylphenoxy)butanenitrile
CID 65256549
5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine (CID 65255864) is 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine is CCCc1ccc(OCCCC(C)(C)CN)cc1.
What is the InChIKey of 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine?
The InChIKey is KCMJONMAYJWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-14-7-9-15(10-8-14)18-12-5-11-16(2,3)13-17/h7-10H,4-6,11-13,17H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine?
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine is sourced from PubChem (CID 65255864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).