N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine

C17H26N6 — CID 17418964

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine
SMILESCN(C)C1(CNc2nnnn2-c2ccccc2)CCCCCC1
InChIInChI=1S/C17H26N6/c1-22(2)17(12-8-3-4-9-13-17)14-18-16-19-20-21-23(16)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,18,19,21)
InChIKeyOQVGXWBAMKVYTM-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.73
Rot. Bonds5

About N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine

N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 17418964) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine
PubChem CID17418964
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine
SMILESCN(C)C1(CNc2nnnn2-c2ccccc2)CCCCCC1
InChIInChI=1S/C17H26N6/c1-22(2)17(12-8-3-4-9-13-17)14-18-16-19-20-21-23(16)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,18,19,21)
InChIKeyOQVGXWBAMKVYTM-UHFFFAOYSA-N
XLogP2.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 103736960
N-[[1-(dimethylamino)cyclopropyl]methyl]-1-methyltetrazol-5-amine
CID 127017131
2-[1-[[(1-phenyltetrazol-5-yl)amino]methyl]cyclobutyl]ethanol
CID 133376008
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 133400034
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
2-[1-[(1-phenyltetrazol-5-yl)amino]cyclopentyl]acetic acid
CID 64700964
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine (CID 17418964) is N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine is CN(C)C1(CNc2nnnn2-c2ccccc2)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is OQVGXWBAMKVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-22(2)17(12-8-3-4-9-13-17)14-18-16-19-20-21-23(16)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,18,19,21).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine?
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 314.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 17418964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).