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

C14H27N5 — CID 65089449

IUPAC4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCC(NC1CCCC(C(C)(C)C)CC1)c1nn[nH]n1
InChIInChI=1S/C14H27N5/c1-10(13-16-18-19-17-13)15-12-7-5-6-11(8-9-12)14(2,3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyMTLNRCZBLKFQST-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.85
Rot. Bonds3

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

4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine (PubChem CID 65089449) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
PubChem CID65089449
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
SMILESCC(NC1CCCC(C(C)(C)C)CC1)c1nn[nH]n1
InChIInChI=1S/C14H27N5/c1-10(13-16-18-19-17-13)15-12-7-5-6-11(8-9-12)14(2,3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17,18,19)
InChIKeyMTLNRCZBLKFQST-UHFFFAOYSA-N
XLogP2.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine (CID 65089449) is 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine is CC(NC1CCCC(C(C)(C)C)CC1)c1nn[nH]n1.
What is the InChIKey of 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
The InChIKey is MTLNRCZBLKFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-10(13-16-18-19-17-13)15-12-7-5-6-11(8-9-12)14(2,3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine?
4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65089449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).