N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C17H32N4 — CID 103571960

IUPACN-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(C)C2CCC(C)(C)CC2)cn1
InChIInChI=1S/C17H32N4/c1-5-10-21-13-14(12-19-21)16(11-18)20(4)15-6-8-17(2,3)9-7-15/h12-13,15-16H,5-11,18H2,1-4H3
InChIKeyYFWBDVANUYCDKT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds6

About N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571960) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571960
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(C)C2CCC(C)(C)CC2)cn1
InChIInChI=1S/C17H32N4/c1-5-10-21-13-14(12-19-21)16(11-18)20(4)15-6-8-17(2,3)9-7-15/h12-13,15-16H,5-11,18H2,1-4H3
InChIKeyYFWBDVANUYCDKT-UHFFFAOYSA-N
XLogP3.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571960) is N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)N(C)C2CCC(C)(C)CC2)cn1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is YFWBDVANUYCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-10-21-13-14(12-19-21)16(11-18)20(4)15-6-8-17(2,3)9-7-15/h12-13,15-16H,5-11,18H2,1-4H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).