1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

C11H20N6 — CID 81490901

IUPAC1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C11H20N6/c1-12-7-10-3-2-6-16(10)8-11-13-14-15-17(11)9-4-5-9/h9-10,12H,2-8H2,1H3
InChIKeyMRLOPZKYSMQOBO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.19
Rot. Bonds5

About 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 81490901) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID81490901
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C11H20N6/c1-12-7-10-3-2-6-16(10)8-11-13-14-15-17(11)9-4-5-9/h9-10,12H,2-8H2,1H3
InChIKeyMRLOPZKYSMQOBO-UHFFFAOYSA-N
XLogP0.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 81490901) is 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1Cc1nnnn1C1CC1.
What is the InChIKey of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is MRLOPZKYSMQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-12-7-10-3-2-6-16(10)8-11-13-14-15-17(11)9-4-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 236.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 81490901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).