N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine

C15H28N4 — CID 103569513

IUPACN-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)CC2CCCCC2)cn1
InChIInChI=1S/C15H28N4/c1-3-19-12-14(10-17-19)15(9-16)18(2)11-13-7-5-4-6-8-13/h10,12-13,15H,3-9,11,16H2,1-2H3
InChIKeyVMVQCKIISKNKIH-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.41
Rot. Bonds6

About N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine

N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine (PubChem CID 103569513) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
PubChem CID103569513
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)CC2CCCCC2)cn1
InChIInChI=1S/C15H28N4/c1-3-19-12-14(10-17-19)15(9-16)18(2)11-13-7-5-4-6-8-13/h10,12-13,15H,3-9,11,16H2,1-2H3
InChIKeyVMVQCKIISKNKIH-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine (CID 103569513) is N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine is CCn1cc(C(CN)N(C)CC2CCCCC2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is VMVQCKIISKNKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-19-12-14(10-17-19)15(9-16)18(2)11-13-7-5-4-6-8-13/h10,12-13,15H,3-9,11,16H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine?
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 103569513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).