N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine

C12H23N5 — CID 114130101

IUPACN-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CC1CCCC(C)C1
InChIInChI=1S/C12H23N5/c1-3-13-8-12-14-15-16-17(12)9-11-6-4-5-10(2)7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyKQTZSKKOKUESCT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.61
Rot. Bonds5

About N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 114130101) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID114130101
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CC1CCCC(C)C1
InChIInChI=1S/C12H23N5/c1-3-13-8-12-14-15-16-17(12)9-11-6-4-5-10(2)7-11/h10-11,13H,3-9H2,1-2H3
InChIKeyKQTZSKKOKUESCT-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3031887
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CID 114216389
CID 114216389
CID 53522336
CID 53522336
CID 59088666
CID 59088666
CID 59088708
CID 59088708
CID 59428610
CID 59428610
CID 62737075
CID 62737075
CID 62737239
CID 62737239
CID 154160528
CID 154160528

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine (CID 114130101) is N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1CC1CCCC(C)C1.
What is the InChIKey of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is KQTZSKKOKUESCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-13-8-12-14-15-16-17(12)9-11-6-4-5-10(2)7-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114130101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).