1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

C15H22N6 — CID 63264199

IUPAC1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2nnnn2Cc2ccccc2)C1
InChIInChI=1S/C15H22N6/c1-16-9-14-7-8-20(10-14)12-15-17-18-19-21(15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3
InChIKeyPXLMBFSBRMFKPD-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.76
Rot. Bonds6

About 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63264199) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63264199
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2nnnn2Cc2ccccc2)C1
InChIInChI=1S/C15H22N6/c1-16-9-14-7-8-20(10-14)12-15-17-18-19-21(15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3
InChIKeyPXLMBFSBRMFKPD-UHFFFAOYSA-N
XLogP0.76
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 63264199) is 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(Cc2nnnn2Cc2ccccc2)C1.
What is the InChIKey of 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is PXLMBFSBRMFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-16-9-14-7-8-20(10-14)12-15-17-18-19-21(15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3.
What are the key properties of 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63264199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).