N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

C19H26N4 — CID 86789369

IUPACN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1nnc(CNC2c3ccccc3CCC2(C)C)n1C1CC1
InChIInChI=1S/C19H26N4/c1-13-21-22-17(23(13)15-8-9-15)12-20-18-16-7-5-4-6-14(16)10-11-19(18,2)3/h4-7,15,18,20H,8-12H2,1-3H3
InChIKeyBUNRDVVAFCJVJX-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 86789369) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID86789369
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1nnc(CNC2c3ccccc3CCC2(C)C)n1C1CC1
InChIInChI=1S/C19H26N4/c1-13-21-22-17(23(13)15-8-9-15)12-20-18-16-7-5-4-6-14(16)10-11-19(18,2)3/h4-7,15,18,20H,8-12H2,1-3H3
InChIKeyBUNRDVVAFCJVJX-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 86789369) is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is Cc1nnc(CNC2c3ccccc3CCC2(C)C)n1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is BUNRDVVAFCJVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-13-21-22-17(23(13)15-8-9-15)12-20-18-16-7-5-4-6-14(16)10-11-19(18,2)3/h4-7,15,18,20H,8-12H2,1-3H3.
What are the key properties of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 310.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 86789369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).