N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine

C16H30N4 — CID 115989859

IUPACN-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C16H30N4/c1-4-15-14(12-19(2)18-15)16(11-17)20(3)13-9-7-5-6-8-10-13/h12-13,16H,4-11,17H2,1-3H3
InChIKeyKNMNZLYYRYGEGA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.64
Rot. Bonds5

About N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine

N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine (PubChem CID 115989859) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
PubChem CID115989859
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C16H30N4/c1-4-15-14(12-19(2)18-15)16(11-17)20(3)13-9-7-5-6-8-10-13/h12-13,16H,4-11,17H2,1-3H3
InChIKeyKNMNZLYYRYGEGA-UHFFFAOYSA-N
XLogP2.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
N-(cyclopropylmethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 112669360
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 83089494
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 112669289
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585
N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 115989943

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine (CID 115989859) is N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine is CCc1nn(C)cc1C(CN)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is KNMNZLYYRYGEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-15-14(12-19(2)18-15)16(11-17)20(3)13-9-7-5-6-8-10-13/h12-13,16H,4-11,17H2,1-3H3.
What are the key properties of N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 115989859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).