N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride

C16H29Cl2N3O — CID 119407414

IUPACN-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCCN.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-11(2)13(4)19-15-8-5-7-14(12(15)3)16(20)18-10-6-9-17;;/h5,7-8,11,13,19H,6,9-10,17H2,1-4H3,(H,18,20);2*1H
InChIKeyXUBDQNYHPGMJHF-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.37
Rot. Bonds7

About N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride

N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride (PubChem CID 119407414) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
PubChem CID119407414
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC NameN-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NCCCN.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-11(2)13(4)19-15-8-5-7-14(12(15)3)16(20)18-10-6-9-17;;/h5,7-8,11,13,19H,6,9-10,17H2,1-4H3,(H,18,20);2*1H
InChIKeyXUBDQNYHPGMJHF-UHFFFAOYSA-N
XLogP3.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119432416
N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119497813
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
CID 95636343
3-(3-aminopropylcarbamoylamino)-2-methylbenzoic acid
CID 62947767
2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
CID 96523879
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride (CID 119407414) is N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride is Cc1c(NC(C)C(C)C)cccc1C(=O)NCCCN.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The InChIKey is XUBDQNYHPGMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-11(2)13(4)19-15-8-5-7-14(12(15)3)16(20)18-10-6-9-17;;/h5,7-8,11,13,19H,6,9-10,17H2,1-4H3,(H,18,20);2*1H.
What are the key properties of N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride is sourced from PubChem (CID 119407414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).