(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate

C13H20N2O2 — CID 116819193

IUPAC(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
SMILESCc1cc(C)c(OC(=O)NCCCN)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-9-7-10(2)12(11(3)8-9)17-13(16)15-6-4-5-14/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyXKDLGOACSYYRDR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds4

About (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate

(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate (PubChem CID 116819193) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
PubChem CID116819193
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
SMILESCc1cc(C)c(OC(=O)NCCCN)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-9-7-10(2)12(11(3)8-9)17-13(16)15-6-4-5-14/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyXKDLGOACSYYRDR-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate
CID 83820798
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
(2,5-dimethylphenyl) N-(2-aminoethyl)carbamate
CID 82283722
(4-bromophenyl) N-(3-aminopropyl)carbamate
CID 116819177
N-(3-aminopropyl)acetamide;1,3-difluoro-5-methylbenzene;propane
CID 143107944
2,4-bis(bromomethyl)-1,3,5-trimethylbenzene;tert-butyl N-(3-aminopropyl)carbamate
CID 157357719
ethyl N-(2,4,6-trimethylphenoxy)carbamate
CID 102307292
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate?
The IUPAC name of (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate (CID 116819193) is (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate.
What is the SMILES notation for (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate?
The canonical SMILES for (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate is Cc1cc(C)c(OC(=O)NCCCN)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate?
The InChIKey is XKDLGOACSYYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-10(2)12(11(3)8-9)17-13(16)15-6-4-5-14/h7-8H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate?
(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate is sourced from PubChem (CID 116819193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).