1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine

C12H24N6 — CID 107041837

IUPAC1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCN(Cc1nnn(C)n1)C1(CN)CCCC1
InChIInChI=1S/C12H24N6/c1-3-8-18(9-11-14-16-17(2)15-11)12(10-13)6-4-5-7-12/h3-10,13H2,1-2H3
InChIKeyXJHJYWYPVZRFPV-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.69
Rot. Bonds6

About 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine

1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 107041837) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine
PubChem CID107041837
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCN(Cc1nnn(C)n1)C1(CN)CCCC1
InChIInChI=1S/C12H24N6/c1-3-8-18(9-11-14-16-17(2)15-11)12(10-13)6-4-5-7-12/h3-10,13H2,1-2H3
InChIKeyXJHJYWYPVZRFPV-UHFFFAOYSA-N
XLogP0.69
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
CID 62008128
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 107041828
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 63486852
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052530

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine (CID 107041837) is 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine is CCCN(Cc1nnn(C)n1)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is XJHJYWYPVZRFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-3-8-18(9-11-14-16-17(2)15-11)12(10-13)6-4-5-7-12/h3-10,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine?
1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 252.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107041837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).