N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

C11H22N6 — CID 107043572

IUPACN-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1nnn(C)n1
InChIInChI=1S/C11H22N6/c1-3-6-12-8-10-5-4-7-17(10)9-11-13-15-16(2)14-11/h10,12H,3-9H2,1-2H3
InChIKeyBIRBSMYQLNNBKS-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.17
Rot. Bonds6

About N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 107043572) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID107043572
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1Cc1nnn(C)n1
InChIInChI=1S/C11H22N6/c1-3-6-12-8-10-5-4-7-17(10)9-11-13-15-16(2)14-11/h10,12H,3-9H2,1-2H3
InChIKeyBIRBSMYQLNNBKS-UHFFFAOYSA-N
XLogP0.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 107043580
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581254
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 107078749
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 64784361
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
N-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 82919278
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
CID 107042905

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine (CID 107043572) is N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1Cc1nnn(C)n1.
What is the InChIKey of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is BIRBSMYQLNNBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-3-6-12-8-10-5-4-7-17(10)9-11-13-15-16(2)14-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 238.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107043572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).