N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide

C17H28N2O — CID 60917827

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCc1ccc(CN)cc1)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(10-17(2,3)4)9-16(20)19-12-15-7-5-14(11-18)6-8-15/h5-8,13H,9-12,18H2,1-4H3,(H,19,20)
InChIKeyZEDKVDWTDJVDTI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide

N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide (PubChem CID 60917827) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
PubChem CID60917827
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCc1ccc(CN)cc1)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(10-17(2,3)4)9-16(20)19-12-15-7-5-14(11-18)6-8-15/h5-8,13H,9-12,18H2,1-4H3,(H,19,20)
InChIKeyZEDKVDWTDJVDTI-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,5,5-trimethylhexanamide
CID 42728024
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
CID 107231413
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
3,5,5-trimethylhexanehydrazide
CID 142619235
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
(2S)-2-amino-3-[4-[(3-methylbutanoylamino)methyl]phenyl]propanoic acid
CID 58987527
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3,4,4-trimethylpentanamide
CID 77009391

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide (CID 60917827) is N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide is CC(CC(=O)NCc1ccc(CN)cc1)CC(C)(C)C.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide?
The InChIKey is ZEDKVDWTDJVDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(10-17(2,3)4)9-16(20)19-12-15-7-5-14(11-18)6-8-15/h5-8,13H,9-12,18H2,1-4H3,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide?
N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 60917827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).