N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine

C16H17N5 — CID 56798688

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(Cc1nnnn1C1CC1)c1cccc2ccccc12
InChIInChI=1S/C16H17N5/c1-20(11-16-17-18-19-21(16)13-9-10-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11H2,1H3
InChIKeyAMPYYFVGSKABML-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.80
Rot. Bonds4

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine (PubChem CID 56798688) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine
PubChem CID56798688
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(Cc1nnnn1C1CC1)c1cccc2ccccc12
InChIInChI=1S/C16H17N5/c1-20(11-16-17-18-19-21(16)13-9-10-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11H2,1H3
InChIKeyAMPYYFVGSKABML-UHFFFAOYSA-N
XLogP2.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine (CID 56798688) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine is CN(Cc1nnnn1C1CC1)c1cccc2ccccc12.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
The InChIKey is AMPYYFVGSKABML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-20(11-16-17-18-19-21(16)13-9-10-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13H,9-11H2,1H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine has a molecular weight of 279.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 56798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).