4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine

C11H21N5 — CID 65079885

IUPAC4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCC1CCCC(NC(C)c2nn[nH]n2)CC1
InChIInChI=1S/C11H21N5/c1-8-4-3-5-10(7-6-8)12-9(2)11-13-15-16-14-11/h8-10,12H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyPBIIOJCYZONPJC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds3

About 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine

4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine (PubChem CID 65079885) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
PubChem CID65079885
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCC1CCCC(NC(C)c2nn[nH]n2)CC1
InChIInChI=1S/C11H21N5/c1-8-4-3-5-10(7-6-8)12-9(2)11-13-15-16-14-11/h8-10,12H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyPBIIOJCYZONPJC-UHFFFAOYSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine (CID 65079885) is 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine is CC1CCCC(NC(C)c2nn[nH]n2)CC1.
What is the InChIKey of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The InChIKey is PBIIOJCYZONPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8-4-3-5-10(7-6-8)12-9(2)11-13-15-16-14-11/h8-10,12H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65079885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).