8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H22N4O — CID 138011472

IUPAC8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCn1cnc(CNC(=O)c2ccc3c(c2)C(CN)CCC3)c1
InChIInChI=1S/C17H22N4O/c1-21-10-15(20-11-21)9-19-17(22)13-6-5-12-3-2-4-14(8-18)16(12)7-13/h5-7,10-11,14H,2-4,8-9,18H2,1H3,(H,19,22)
InChIKeyDWBTXHIOZGUWEW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.73
Rot. Bonds4

About 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 138011472) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID138011472
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCn1cnc(CNC(=O)c2ccc3c(c2)C(CN)CCC3)c1
InChIInChI=1S/C17H22N4O/c1-21-10-15(20-11-21)9-19-17(22)13-6-5-12-3-2-4-14(8-18)16(12)7-13/h5-7,10-11,14H,2-4,8-9,18H2,1H3,(H,19,22)
InChIKeyDWBTXHIOZGUWEW-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 138011472) is 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cn1cnc(CNC(=O)c2ccc3c(c2)C(CN)CCC3)c1.
What is the InChIKey of 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DWBTXHIOZGUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-10-15(20-11-21)9-19-17(22)13-6-5-12-3-2-4-14(8-18)16(12)7-13/h5-7,10-11,14H,2-4,8-9,18H2,1H3,(H,19,22).
What are the key properties of 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 138011472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).