1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119851215

IUPAC1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCN2CCc3ccccc32)CCCCC1
InChIInChI=1S/C18H27N3O.2ClH/c19-18(10-4-1-5-11-18)17(22)20-12-6-13-21-14-9-15-7-2-3-8-16(15)21;;/h2-3,7-8H,1,4-6,9-14,19H2,(H,20,22);2*1H
InChIKeyJRZNHJPGLAKSDO-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.06
Rot. Bonds5

About 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119851215) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119851215
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCN2CCc3ccccc32)CCCCC1
InChIInChI=1S/C18H27N3O.2ClH/c19-18(10-4-1-5-11-18)17(22)20-12-6-13-21-14-9-15-7-2-3-8-16(15)21;;/h2-3,7-8H,1,4-6,9-14,19H2,(H,20,22);2*1H
InChIKeyJRZNHJPGLAKSDO-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.06
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

1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide
CID 119323918
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
CID 91919456
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119851215) is 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCCCN2CCc3ccccc32)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is JRZNHJPGLAKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c19-18(10-4-1-5-11-18)17(22)20-12-6-13-21-14-9-15-7-2-3-8-16(15)21;;/h2-3,7-8H,1,4-6,9-14,19H2,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119851215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).