N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine

C9H16N6 — CID 66187611

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1nnnn1C1CC1)C1CNC1
InChIInChI=1S/C9H16N6/c1-14(8-4-10-5-8)6-9-11-12-13-15(9)7-2-3-7/h7-8,10H,2-6H2,1H3
InChIKeyMMCPIFKLUSQNFG-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.59
Rot. Bonds4

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 66187611) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
PubChem CID66187611
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1nnnn1C1CC1)C1CNC1
InChIInChI=1S/C9H16N6/c1-14(8-4-10-5-8)6-9-11-12-13-15(9)7-2-3-7/h7-8,10H,2-6H2,1H3
InChIKeyMMCPIFKLUSQNFG-UHFFFAOYSA-N
XLogP-0.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine (CID 66187611) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine is CN(Cc1nnnn1C1CC1)C1CNC1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is MMCPIFKLUSQNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14(8-4-10-5-8)6-9-11-12-13-15(9)7-2-3-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 208.27 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 66187611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).