N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine

C13H23N5 — CID 86989057

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C13H23N5/c1-10-3-5-11(6-4-10)17(2)9-13-14-15-16-18(13)12-7-8-12/h10-12H,3-9H2,1-2H3
InChIKeyRVOCNZZLJPPHDF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.02
Rot. Bonds4

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 86989057) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID86989057
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C13H23N5/c1-10-3-5-11(6-4-10)17(2)9-13-14-15-16-18(13)12-7-8-12/h10-12H,3-9H2,1-2H3
InChIKeyRVOCNZZLJPPHDF-UHFFFAOYSA-N
XLogP2.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 86989057) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2nnnn2C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is RVOCNZZLJPPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-3-5-11(6-4-10)17(2)9-13-14-15-16-18(13)12-7-8-12/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 86989057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).