N,2,2-triethyl-5-phenylpentan-1-amine

C17H29N — CID 63508622

IUPACN,2,2-triethyl-5-phenylpentan-1-amine
SMILESCCNCC(CC)(CC)CCCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-17(5-2,15-18-6-3)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3
InChIKeyITTMYWCOMODBMH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.43
Rot. Bonds9

About N,2,2-triethyl-5-phenylpentan-1-amine

N,2,2-triethyl-5-phenylpentan-1-amine (PubChem CID 63508622) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,2,2-triethyl-5-phenylpentan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-5-phenylpentan-1-amine
PubChem CID63508622
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,2,2-triethyl-5-phenylpentan-1-amine
SMILESCCNCC(CC)(CC)CCCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-17(5-2,15-18-6-3)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3
InChIKeyITTMYWCOMODBMH-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-diethyl-5-phenyl-N-propylpentan-1-amine
CID 63509322
[4-(bromomethyl)-4-ethyloctyl]benzene
CID 66047831
N,2,2-triethyl-4-phenylsulfanylbutan-1-amine
CID 79228377
N-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
butylbenzene;propylbenzene
CID 142022125
N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide
CID 155692236
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
3-ethyl-N-(3-phenylpropyl)pentan-3-amine
CID 65039319

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-5-phenylpentan-1-amine?
The IUPAC name of N,2,2-triethyl-5-phenylpentan-1-amine (CID 63508622) is N,2,2-triethyl-5-phenylpentan-1-amine.
What is the SMILES notation for N,2,2-triethyl-5-phenylpentan-1-amine?
The canonical SMILES for N,2,2-triethyl-5-phenylpentan-1-amine is CCNCC(CC)(CC)CCCc1ccccc1.
What is the InChIKey of N,2,2-triethyl-5-phenylpentan-1-amine?
The InChIKey is ITTMYWCOMODBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-17(5-2,15-18-6-3)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3.
What are the key properties of N,2,2-triethyl-5-phenylpentan-1-amine?
N,2,2-triethyl-5-phenylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-5-phenylpentan-1-amine is sourced from PubChem (CID 63508622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).