N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine

C18H27N5O — CID 30311781

IUPACN,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1(c2nnnn2-c2cccc(OC)c2)CCCCC1
InChIInChI=1S/C18H27N5O/c1-4-22(5-2)18(12-7-6-8-13-18)17-19-20-21-23(17)15-10-9-11-16(14-15)24-3/h9-11,14H,4-8,12-13H2,1-3H3
InChIKeySWZIQUMPEKZYBZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.17
Rot. Bonds6

About N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine

N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine (PubChem CID 30311781) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
PubChem CID30311781
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1(c2nnnn2-c2cccc(OC)c2)CCCCC1
InChIInChI=1S/C18H27N5O/c1-4-22(5-2)18(12-7-6-8-13-18)17-19-20-21-23(17)15-10-9-11-16(14-15)24-3/h9-11,14H,4-8,12-13H2,1-3H3
InChIKeySWZIQUMPEKZYBZ-UHFFFAOYSA-N
XLogP3.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine (CID 30311781) is N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine is CCN(CC)C1(c2nnnn2-c2cccc(OC)c2)CCCCC1.
What is the InChIKey of N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine?
The InChIKey is SWZIQUMPEKZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-22(5-2)18(12-7-6-8-13-18)17-19-20-21-23(17)15-10-9-11-16(14-15)24-3/h9-11,14H,4-8,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine?
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine has a molecular weight of 329.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 30311781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).