3-(1-cycloheptyltetrazol-5-yl)propan-1-amine

C11H21N5 — CID 82228405

IUPAC3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
SMILESNCCCc1nnnn1C1CCCCCC1
InChIInChI=1S/C11H21N5/c12-9-5-8-11-13-14-15-16(11)10-6-3-1-2-4-7-10/h10H,1-9,12H2
InChIKeyVEDRKSUBNYUDEX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.46
Rot. Bonds4

About 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine

3-(1-cycloheptyltetrazol-5-yl)propan-1-amine (PubChem CID 82228405) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
PubChem CID82228405
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
SMILESNCCCc1nnnn1C1CCCCCC1
InChIInChI=1S/C11H21N5/c12-9-5-8-11-13-14-15-16(11)10-6-3-1-2-4-7-10/h10H,1-9,12H2
InChIKeyVEDRKSUBNYUDEX-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-cyclopropyltetrazol-5-yl)propan-1-amine
CID 82228426
3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine
CID 84688704
1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
CID 7125273
1-cyclohexyl-5-(3-naphthalen-2-yloxypropyl)tetrazole
CID 12852452
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79225212
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
CID 134907750
3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069001
5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide
CID 21295446
6-[4-(1-cyclohexyltetrazol-5-yl)butanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 171115029

Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine (CID 82228405) is 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine is NCCCc1nnnn1C1CCCCCC1.
What is the InChIKey of 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine?
The InChIKey is VEDRKSUBNYUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c12-9-5-8-11-13-14-15-16(11)10-6-3-1-2-4-7-10/h10H,1-9,12H2.
What are the key properties of 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine?
3-(1-cycloheptyltetrazol-5-yl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cycloheptyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 82228405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).