N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine

C24H31N9 — CID 1459675

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)c3nnnn3c12
InChIInChI=1S/C24H31N9/c1-17-8-7-9-18-14-19(24-26-28-30-33(24)23(17)18)15-31(20-10-5-6-11-20)16-22-25-27-29-32(22)21-12-3-2-4-13-21/h7-9,14,20-21H,2-6,10-13,15-16H2,1H3
InChIKeyLCWXCNKXPUOIIU-UHFFFAOYSA-N
MW445.58 g/mol
LogP4.02
Rot. Bonds6

About N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine

N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine (PubChem CID 1459675) has the molecular formula C24H31N9 and a molecular weight of 445.58 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine
PubChem CID1459675
Molecular FormulaC24H31N9
Molecular Weight445.58 g/mol
Exact Mass445.27
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)c3nnnn3c12
InChIInChI=1S/C24H31N9/c1-17-8-7-9-18-14-19(24-26-28-30-33(24)23(17)18)15-31(20-10-5-6-11-20)16-22-25-27-29-32(22)21-12-3-2-4-13-21/h7-9,14,20-21H,2-6,10-13,15-16H2,1H3
InChIKeyLCWXCNKXPUOIIU-UHFFFAOYSA-N
XLogP4.02
TPSA89.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine (CID 1459675) is N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine is Cc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)c3nnnn3c12.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is LCWXCNKXPUOIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9/c1-17-8-7-9-18-14-19(24-26-28-30-33(24)23(17)18)15-31(20-10-5-6-11-20)16-22-25-27-29-32(22)21-12-3-2-4-13-21/h7-9,14,20-21H,2-6,10-13,15-16H2,1H3.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine?
N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 445.58 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 1459675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).