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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Related Compounds

(4aR,8aS)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 94083773
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 47023442
1-[(2S)-2-[(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95612765
1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 95581120
(1R)-2-[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 97078680
(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 94810986
2-[[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813786
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81490982
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81490551
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145

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).