4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride

C17H31Cl2N3O — CID 120564545

IUPAC4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1CN(C)C(C)C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-13(2)20(4)12-16-8-6-5-7-15(16)11-19-17(21)10-9-14(3)18;;/h5-8,13-14H,9-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyVLEUADOZCURSFS-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.11
Rot. Bonds8

About 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride

4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride (PubChem CID 120564545) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
PubChem CID120564545
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC Name4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1ccccc1CN(C)C(C)C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-13(2)20(4)12-16-8-6-5-7-15(16)11-19-17(21)10-9-14(3)18;;/h5-8,13-14H,9-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyVLEUADOZCURSFS-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
(2S)-2-amino-3,3-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845611
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
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CID 46470304
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
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CID 119946480
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3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride (CID 120564545) is 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCc1ccccc1CN(C)C(C)C.Cl.Cl.
What is the InChIKey of 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride?
The InChIKey is VLEUADOZCURSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-13(2)20(4)12-16-8-6-5-7-15(16)11-19-17(21)10-9-14(3)18;;/h5-8,13-14H,9-12,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride?
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).