3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide

C17H30N4O — CID 11404016

IUPAC3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)c1cccc(N)c1
InChIInChI=1S/C17H30N4O/c1-19(2)10-6-12-21(13-7-11-20(3)4)17(22)15-8-5-9-16(18)14-15/h5,8-9,14H,6-7,10-13,18H2,1-4H3
InChIKeySEEJGUGDECAPHX-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.61
Rot. Bonds9

About 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide

3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide (PubChem CID 11404016) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
PubChem CID11404016
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)c1cccc(N)c1
InChIInChI=1S/C17H30N4O/c1-19(2)10-6-12-21(13-7-11-20(3)4)17(22)15-8-5-9-16(18)14-15/h5,8-9,14H,6-7,10-13,18H2,1-4H3
InChIKeySEEJGUGDECAPHX-UHFFFAOYSA-N
XLogP1.61
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-didecylbenzamide
CID 19389018
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
3-(dimethylamino)propyl 3-aminobenzoate
CID 114526412
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
3-amino-N-methyl-N-propylbenzamide
CID 43270761
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide (CID 11404016) is 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide is CN(C)CCCN(CCCN(C)C)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide?
The InChIKey is SEEJGUGDECAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-19(2)10-6-12-21(13-7-11-20(3)4)17(22)15-8-5-9-16(18)14-15/h5,8-9,14H,6-7,10-13,18H2,1-4H3.
What are the key properties of 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide?
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide has a molecular weight of 306.45 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 11404016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).