butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate

C16H25N5O2 — CID 131739688

IUPACbutyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate
SMILESCCCCOC(=O)NC12CC3CC1CC(Cn1cnnn1)(C3)C2
InChIInChI=1S/C16H25N5O2/c1-2-3-4-23-14(22)18-16-7-12-5-13(16)8-15(6-12,9-16)10-21-11-17-19-20-21/h11-13H,2-10H2,1H3,(H,18,22)
InChIKeyRGLCQNFPXZVWKD-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.15
Rot. Bonds6

About butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate

butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate (PubChem CID 131739688) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate
PubChem CID131739688
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Namebutyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate
SMILESCCCCOC(=O)NC12CC3CC1CC(Cn1cnnn1)(C3)C2
InChIInChI=1S/C16H25N5O2/c1-2-3-4-23-14(22)18-16-7-12-5-13(16)8-15(6-12,9-16)10-21-11-17-19-20-21/h11-13H,2-10H2,1H3,(H,18,22)
InChIKeyRGLCQNFPXZVWKD-UHFFFAOYSA-N
XLogP2.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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butyl N-(3-hydroxycyclobutyl)carbamate
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butyl N-(1-formylcyclopentyl)carbamate
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butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate
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butyl N-[1-(pyridin-3-yloxymethyl)cyclopropyl]carbamate
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butyl 6-[3-(1-bicyclo[1.1.1]pentanylmethoxy)pyrazol-1-yl]-2-chloropyridine-3-carboxylate
CID 175804253
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459
butyl N-(1-aminoethyl)carbamate
CID 87930052
2-(1-adamantyl)ethyl N-ethylcarbamate
CID 5173684
butyl N-piperazin-1-ylcarbamate
CID 154398966

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate?
The IUPAC name of butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate (CID 131739688) is butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate.
What is the SMILES notation for butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate?
The canonical SMILES for butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate is CCCCOC(=O)NC12CC3CC1CC(Cn1cnnn1)(C3)C2.
What is the InChIKey of butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate?
The InChIKey is RGLCQNFPXZVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-3-4-23-14(22)18-16-7-12-5-13(16)8-15(6-12,9-16)10-21-11-17-19-20-21/h11-13H,2-10H2,1H3,(H,18,22).
What are the key properties of butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate?
butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate has a molecular weight of 319.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(tetrazol-1-ylmethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamate is sourced from PubChem (CID 131739688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).