N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide

C14H22N2O — CID 43136684

IUPACN-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(CCCN)C(C)C
InChIInChI=1S/C14H22N2O/c1-11(2)16(10-6-9-15)14(17)13-8-5-4-7-12(13)3/h4-5,7-8,11H,6,9-10,15H2,1-3H3
InChIKeyAOEUYMAZUWGMPV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds5

About N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide

N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide (PubChem CID 43136684) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
PubChem CID43136684
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(CCCN)C(C)C
InChIInChI=1S/C14H22N2O/c1-11(2)16(10-6-9-15)14(17)13-8-5-4-7-12(13)3/h4-5,7-8,11H,6,9-10,15H2,1-3H3
InChIKeyAOEUYMAZUWGMPV-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104668867
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide (CID 43136684) is N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide is Cc1ccccc1C(=O)N(CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is AOEUYMAZUWGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16(10-6-9-15)14(17)13-8-5-4-7-12(13)3/h4-5,7-8,11H,6,9-10,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide?
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43136684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).