N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride

C19H29ClN2O — CID 154578163

IUPACN-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2CCc3ccccc3C2)CCCCCC1
InChIInChI=1S/C19H28N2O.ClH/c20-19(11-5-1-2-6-12-19)14-21-18(22)17-10-9-15-7-3-4-8-16(15)13-17;/h3-4,7-8,17H,1-2,5-6,9-14,20H2,(H,21,22);1H
InChIKeyDXVXGGQBRQKESI-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.38
Rot. Bonds3

About N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride (PubChem CID 154578163) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride
PubChem CID154578163
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2CCc3ccccc3C2)CCCCCC1
InChIInChI=1S/C19H28N2O.ClH/c20-19(11-5-1-2-6-12-19)14-21-18(22)17-10-9-15-7-3-4-8-16(15)13-17;/h3-4,7-8,17H,1-2,5-6,9-14,20H2,(H,21,22);1H
InChIKeyDXVXGGQBRQKESI-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127832
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121
N-[[1-(bromomethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127754
N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127311
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-(3-amino-2,2-difluoropropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127316
N-[(1-aminocyclohexyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 119404407
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119994996
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[[2-(aminomethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127819
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994997

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride (CID 154578163) is N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride is Cl.NC1(CNC(=O)C2CCc3ccccc3C2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride?
The InChIKey is DXVXGGQBRQKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-19(11-5-1-2-6-12-19)14-21-18(22)17-10-9-15-7-3-4-8-16(15)13-17;/h3-4,7-8,17H,1-2,5-6,9-14,20H2,(H,21,22);1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 154578163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).