N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine

C14H28N4 — CID 114270847

IUPACN',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
SMILESCC(C)C(Cn1cccn1)NCCCCN(C)C
InChIInChI=1S/C14H28N4/c1-13(2)14(12-18-11-7-9-16-18)15-8-5-6-10-17(3)4/h7,9,11,13-15H,5-6,8,10,12H2,1-4H3
InChIKeyYPPHRVAQZNNNBR-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.84
Rot. Bonds9

About N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine

N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine (PubChem CID 114270847) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
PubChem CID114270847
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
SMILESCC(C)C(Cn1cccn1)NCCCCN(C)C
InChIInChI=1S/C14H28N4/c1-13(2)14(12-18-11-7-9-16-18)15-8-5-6-10-17(3)4/h7,9,11,13-15H,5-6,8,10,12H2,1-4H3
InChIKeyYPPHRVAQZNNNBR-UHFFFAOYSA-N
XLogP1.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.84
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

1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
CID 95279961
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
CID 114270882
(2S)-N-(2,2-dimethyl-3-phenylpropyl)-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 100620691
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 124736967
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine (CID 114270847) is N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine is CC(C)C(Cn1cccn1)NCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine?
The InChIKey is YPPHRVAQZNNNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-13(2)14(12-18-11-7-9-16-18)15-8-5-6-10-17(3)4/h7,9,11,13-15H,5-6,8,10,12H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 114270847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).