N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C9H16N6 — CID 63149984

IUPACN-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCn1nnnc1NC1CCN2CCCC12
InChIInChI=1S/C9H16N6/c1-14-9(11-12-13-14)10-7-4-6-15-5-2-3-8(7)15/h7-8H,2-6H2,1H3,(H,10,11,13)
InChIKeyTUUQHRIIJWFFKF-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.14
Rot. Bonds2

About N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 63149984) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID63149984
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC NameN-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCn1nnnc1NC1CCN2CCCC12
InChIInChI=1S/C9H16N6/c1-14-9(11-12-13-14)10-7-4-6-15-5-2-3-8(7)15/h7-8H,2-6H2,1H3,(H,10,11,13)
InChIKeyTUUQHRIIJWFFKF-UHFFFAOYSA-N
XLogP-0.14
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 63149984) is N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cn1nnnc1NC1CCN2CCCC12.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is TUUQHRIIJWFFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14-9(11-12-13-14)10-7-4-6-15-5-2-3-8(7)15/h7-8H,2-6H2,1H3,(H,10,11,13).
What are the key properties of N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 208.27 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 63149984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).