N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C16H27N5O — CID 127663131

IUPACN-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCCCC(NC(=O)C1CCC2CCCCC2C1)c1nn[nH]n1
InChIInChI=1S/C16H27N5O/c1-2-5-14(15-18-20-21-19-15)17-16(22)13-9-8-11-6-3-4-7-12(11)10-13/h11-14H,2-10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyWZECYYYQVJMWOE-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 127663131) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID127663131
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCCCC(NC(=O)C1CCC2CCCCC2C1)c1nn[nH]n1
InChIInChI=1S/C16H27N5O/c1-2-5-14(15-18-20-21-19-15)17-16(22)13-9-8-11-6-3-4-7-12(11)10-13/h11-14H,2-10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyWZECYYYQVJMWOE-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 127663131) is N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CCCC(NC(=O)C1CCC2CCCCC2C1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is WZECYYYQVJMWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-5-14(15-18-20-21-19-15)17-16(22)13-9-8-11-6-3-4-7-12(11)10-13/h11-14H,2-10H2,1H3,(H,17,22)(H,18,19,20,21).
What are the key properties of N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)butyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 127663131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).