N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C14H26N4 — CID 62127404

IUPACN'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCn1cc(CN(CCCN)C2CCCCC2)cn1
InChIInChI=1S/C14H26N4/c1-17-11-13(10-16-17)12-18(9-5-8-15)14-6-3-2-4-7-14/h10-11,14H,2-9,12,15H2,1H3
InChIKeyXLXUHOSPTPWLKG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds6

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

N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 62127404) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID62127404
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCn1cc(CN(CCCN)C2CCCCC2)cn1
InChIInChI=1S/C14H26N4/c1-17-11-13(10-16-17)12-18(9-5-8-15)14-6-3-2-4-7-14/h10-11,14H,2-9,12,15H2,1H3
InChIKeyXLXUHOSPTPWLKG-UHFFFAOYSA-N
XLogP1.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041752
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
3-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936306
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
CID 62062243
N-[2-(4-chloropyrazol-1-yl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 91829151
2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
CID 103002660
N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 74244749
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 62127404) is N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is Cn1cc(CN(CCCN)C2CCCCC2)cn1.
What is the InChIKey of N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is XLXUHOSPTPWLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-17-11-13(10-16-17)12-18(9-5-8-15)14-6-3-2-4-7-14/h10-11,14H,2-9,12,15H2,1H3.
What are the key properties of N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62127404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).