2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine

C15H29N5 — CID 86988859

IUPAC2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCCCn1nnnc1CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H29N5/c1-5-10-20-14(17-18-19-20)11-16-13-9-7-6-8-12(13)15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyPHNMJOXJYDAQFK-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.78
Rot. Bonds5

About 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 86988859) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID86988859
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCCCn1nnnc1CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H29N5/c1-5-10-20-14(17-18-19-20)11-16-13-9-7-6-8-12(13)15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyPHNMJOXJYDAQFK-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 86988859) is 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine is CCCn1nnnc1CNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is PHNMJOXJYDAQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-10-20-14(17-18-19-20)11-16-13-9-7-6-8-12(13)15(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-propyltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 86988859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).