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

C10H18N6 — CID 107042292

IUPACN-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCn1nnc(CNC2CCN3CCCC23)n1
InChIInChI=1S/C10H18N6/c1-15-13-10(12-14-15)7-11-8-4-6-16-5-2-3-9(8)16/h8-9,11H,2-7H2,1H3
InChIKeySEPFMBIWPNDQQM-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.46
Rot. Bonds3

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

N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 107042292) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID107042292
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCn1nnc(CNC2CCN3CCCC23)n1
InChIInChI=1S/C10H18N6/c1-15-13-10(12-14-15)7-11-8-4-6-16-5-2-3-9(8)16/h8-9,11H,2-7H2,1H3
InChIKeySEPFMBIWPNDQQM-UHFFFAOYSA-N
XLogP-0.46
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107911511
N-[(2-methyltetrazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107042445
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054011
N-[(1-methylpyrrolidin-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106023953
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752418
N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
CID 107042690
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694485
(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95284907
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
3-ethyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107042459

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 107042292) is N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cn1nnc(CNC2CCN3CCCC23)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is SEPFMBIWPNDQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-15-13-10(12-14-15)7-11-8-4-6-16-5-2-3-9(8)16/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 222.30 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 107042292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).