N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine

C16H30N4 — CID 62127761

IUPACN'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCn1cc(CNCCCN(C)C2CCCCC2)cn1
InChIInChI=1S/C16H30N4/c1-3-20-14-15(13-18-20)12-17-10-7-11-19(2)16-8-5-4-6-9-16/h13-14,16-17H,3-12H2,1-2H3
InChIKeyQLABBKIRGIXOBK-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.65
Rot. Bonds8

About N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 62127761) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID62127761
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCn1cc(CNCCCN(C)C2CCCCC2)cn1
InChIInChI=1S/C16H30N4/c1-3-20-14-15(13-18-20)12-17-10-7-11-19(2)16-8-5-4-6-9-16/h13-14,16-17H,3-12H2,1-2H3
InChIKeyQLABBKIRGIXOBK-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 62977038
N'-cyclohexyl-N-[(1-ethylpyrrol-3-yl)methyl]-N'-methylpropane-1,3-diamine
CID 66413997
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 63451944
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 60981096
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62126512

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine (CID 62127761) is N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine is CCn1cc(CNCCCN(C)C2CCCCC2)cn1.
What is the InChIKey of N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is QLABBKIRGIXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-20-14-15(13-18-20)12-17-10-7-11-19(2)16-8-5-4-6-9-16/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62127761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).