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

C15H30N4 — CID 103571806

IUPACN-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(C)C(C)CC(C)C)cn1
InChIInChI=1S/C15H30N4/c1-6-7-19-11-14(10-17-19)15(9-16)18(5)13(4)8-12(2)3/h10-13,15H,6-9,16H2,1-5H3
InChIKeyBMVNFERVJXCDQK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds8

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

N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571806) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571806
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(C)C(C)CC(C)C)cn1
InChIInChI=1S/C15H30N4/c1-6-7-19-11-14(10-17-19)15(9-16)18(5)13(4)8-12(2)3/h10-13,15H,6-9,16H2,1-5H3
InChIKeyBMVNFERVJXCDQK-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571958
N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571960
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571807
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571837
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571747
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571826
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571806) is N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)N(C)C(C)CC(C)C)cn1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is BMVNFERVJXCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-7-19-11-14(10-17-19)15(9-16)18(5)13(4)8-12(2)3/h10-13,15H,6-9,16H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).