4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride

C16H27ClN2O — CID 119289264

IUPAC4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCCCCN(C(=O)c1ccc(CN)cc1)C(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-5-6-11-18(13(2)3)16(19)15-9-7-14(12-17)8-10-15;/h7-10,13H,4-6,11-12,17H2,1-3H3;1H
InChIKeyPZKVXWFIHKBEFI-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.61
Rot. Bonds7

About 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride

4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119289264) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119289264
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCCCCN(C(=O)c1ccc(CN)cc1)C(C)C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-4-5-6-11-18(13(2)3)16(19)15-9-7-14(12-17)8-10-15;/h7-10,13H,4-6,11-12,17H2,1-3H3;1H
InChIKeyPZKVXWFIHKBEFI-UHFFFAOYSA-N
XLogP3.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 63588884

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride (CID 119289264) is 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride is CCCCCN(C(=O)c1ccc(CN)cc1)C(C)C.Cl.
What is the InChIKey of 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is PZKVXWFIHKBEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-4-5-6-11-18(13(2)3)16(19)15-9-7-14(12-17)8-10-15;/h7-10,13H,4-6,11-12,17H2,1-3H3;1H.
What are the key properties of 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride?
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119289264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).