1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane

C17H31N5 — CID 861340

IUPAC1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
SMILESCC(C)[C@H](c1nnnn1C1CCCCC1)N1CCCCCC1
InChIInChI=1S/C17H31N5/c1-14(2)16(21-12-8-3-4-9-13-21)17-18-19-20-22(17)15-10-6-5-7-11-15/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyHXCDVFLRVSWOGS-MRXNPFEDSA-N
MW305.47 g/mol
LogP3.75
Rot. Bonds4

About 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane (PubChem CID 861340) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
PubChem CID861340
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
SMILESCC(C)[C@H](c1nnnn1C1CCCCC1)N1CCCCCC1
InChIInChI=1S/C17H31N5/c1-14(2)16(21-12-8-3-4-9-13-21)17-18-19-20-22(17)15-10-6-5-7-11-15/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyHXCDVFLRVSWOGS-MRXNPFEDSA-N
XLogP3.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 857870
1-[(4-chlorophenyl)methyl]-4-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperazine
CID 1443291
1-cyclohexyl-4-[2-methyl-1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine
CID 3209402
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
CID 861350
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azepane
CID 1432588
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane?
The IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane (CID 861340) is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane.
What is the SMILES notation for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane?
The canonical SMILES for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane is CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCCCCC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane?
The InChIKey is HXCDVFLRVSWOGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H31N5/c1-14(2)16(21-12-8-3-4-9-13-21)17-18-19-20-22(17)15-10-6-5-7-11-15/h14-16H,3-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane?
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane has a molecular weight of 305.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane is sourced from PubChem (CID 861340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).