N-tert-butyl-2-ethyl-5-phenylpentan-1-amine

C17H29N — CID 63522583

IUPACN-tert-butyl-2-ethyl-5-phenylpentan-1-amine
SMILESCCC(CCCc1ccccc1)CNC(C)(C)C
InChIInChI=1S/C17H29N/c1-5-15(14-18-17(2,3)4)12-9-13-16-10-7-6-8-11-16/h6-8,10-11,15,18H,5,9,12-14H2,1-4H3
InChIKeyYTHIPQBXRJGSTM-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.42
Rot. Bonds7

About N-tert-butyl-2-ethyl-5-phenylpentan-1-amine

N-tert-butyl-2-ethyl-5-phenylpentan-1-amine (PubChem CID 63522583) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-5-phenylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-5-phenylpentan-1-amine
PubChem CID63522583
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-tert-butyl-2-ethyl-5-phenylpentan-1-amine
SMILESCCC(CCCc1ccccc1)CNC(C)(C)C
InChIInChI=1S/C17H29N/c1-5-15(14-18-17(2,3)4)12-9-13-16-10-7-6-8-11-16/h6-8,10-11,15,18H,5,9,12-14H2,1-4H3
InChIKeyYTHIPQBXRJGSTM-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
N-tert-butyl-2-ethyldecan-1-amine
CID 55196031
3-ethylundecylbenzene
CID 101046196
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
6-ethyl-1-phenyldecan-4-amine
CID 105102887
(3S,7R)-3,7-diethyl-9-phenylnonan-2-one
CID 101041675
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
N-tert-butyl-2-ethyl-5,5-dimethylhexan-1-amine
CID 63522763

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-5-phenylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-5-phenylpentan-1-amine (CID 63522583) is N-tert-butyl-2-ethyl-5-phenylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-5-phenylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-5-phenylpentan-1-amine is CCC(CCCc1ccccc1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-5-phenylpentan-1-amine?
The InChIKey is YTHIPQBXRJGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-15(14-18-17(2,3)4)12-9-13-16-10-7-6-8-11-16/h6-8,10-11,15,18H,5,9,12-14H2,1-4H3.
What are the key properties of N-tert-butyl-2-ethyl-5-phenylpentan-1-amine?
N-tert-butyl-2-ethyl-5-phenylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-5-phenylpentan-1-amine is sourced from PubChem (CID 63522583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).