1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine

C14H28N4 — CID 43180284

IUPAC1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cnn(C)c1
InChIInChI=1S/C14H28N4/c1-5-18(6-2)9-7-8-13(3)15-10-14-11-16-17(4)12-14/h11-13,15H,5-10H2,1-4H3
InChIKeyBTOPORHMKMKNFY-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.02
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine (PubChem CID 43180284) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
PubChem CID43180284
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1cnn(C)c1
InChIInChI=1S/C14H28N4/c1-5-18(6-2)9-7-8-13(3)15-10-14-11-16-17(4)12-14/h11-13,15H,5-10H2,1-4H3
InChIKeyBTOPORHMKMKNFY-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 115769846
N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 105244100

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine (CID 43180284) is 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1cnn(C)c1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine?
The InChIKey is BTOPORHMKMKNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-18(6-2)9-7-8-13(3)15-10-14-11-16-17(4)12-14/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 43180284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).