1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C15H21N5O — CID 115419342

IUPAC1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC1CCC(NCCCN=[N+]=[N-])(C(N)=O)c2ccccc21
InChIInChI=1S/C15H21N5O/c1-11-7-8-15(14(16)21,18-9-4-10-19-20-17)13-6-3-2-5-12(11)13/h2-3,5-6,11,18H,4,7-10H2,1H3,(H2,16,21)
InChIKeyVFLCSPNMRCKKIO-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.55
Rot. Bonds6

About 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 115419342) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID115419342
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCC1CCC(NCCCN=[N+]=[N-])(C(N)=O)c2ccccc21
InChIInChI=1S/C15H21N5O/c1-11-7-8-15(14(16)21,18-9-4-10-19-20-17)13-6-3-2-5-12(11)13/h2-3,5-6,11,18H,4,7-10H2,1H3,(H2,16,21)
InChIKeyVFLCSPNMRCKKIO-UHFFFAOYSA-N
XLogP2.55
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide
CID 66191314
1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide
CID 66188671
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
methyl 1-(3-azidopropylamino)-2,3-dihydroindene-1-carboxylate
CID 66189713
4-(3-azidopropylamino)-2,3-dihydrothiochromene-4-carboxylic acid
CID 66189698
1-(3-azidopropylamino)-3,4-dimethylcyclohexane-1-carboxamide
CID 66167419
methyl 4-(3-azidopropylamino)-1,3-dihydroisochromene-4-carboxylate
CID 107149902
1-(3-azidopropylamino)-4-methylcycloheptane-1-carboxamide
CID 66164955
1-(3-azidopropylamino)-3,5-dimethylcyclohexane-1-carboxamide
CID 66168060
3-[[1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]amino]propan-1-ol
CID 113305944
1-(3-azidopropylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83067176
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 115419342) is 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CC1CCC(NCCCN=[N+]=[N-])(C(N)=O)c2ccccc21.
What is the InChIKey of 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is VFLCSPNMRCKKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-7-8-15(14(16)21,18-9-4-10-19-20-17)13-6-3-2-5-12(11)13/h2-3,5-6,11,18H,4,7-10H2,1H3,(H2,16,21).
What are the key properties of 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 115419342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).