7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride

C16H35Cl2N3O — CID 119885095

IUPAC7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
SMILESCC(C)CN1CCC(CNC(=O)CCCCCCN)C1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-14(2)12-19-10-8-15(13-19)11-18-16(20)7-5-3-4-6-9-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H
InChIKeyJIMOEHTUBRFUHA-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.83
Rot. Bonds10

About 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride

7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride (PubChem CID 119885095) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
PubChem CID119885095
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC Name7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
SMILESCC(C)CN1CCC(CNC(=O)CCCCCCN)C1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-14(2)12-19-10-8-15(13-19)11-18-16(20)7-5-3-4-6-9-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H
InChIKeyJIMOEHTUBRFUHA-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide
CID 60856493
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885145
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 95225668
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
CID 119724916
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
7-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]heptanamide;dihydrochloride
CID 119863212

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride (CID 119885095) is 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride is CC(C)CN1CCC(CNC(=O)CCCCCCN)C1.Cl.Cl.
What is the InChIKey of 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride?
The InChIKey is JIMOEHTUBRFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-14(2)12-19-10-8-15(13-19)11-18-16(20)7-5-3-4-6-9-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride?
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119885095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).