N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine

C18H26N4 — CID 126647400

IUPACN,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)CC1CNNC1c1cccc2ccccc12
InChIInChI=1S/C18H26N4/c1-19-10-11-22(2)13-15-12-20-21-18(15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18-21H,10-13H2,1-2H3
InChIKeyKHRBXEAMHQNYKN-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.76
Rot. Bonds6

About N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 126647400) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID126647400
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)CC1CNNC1c1cccc2ccccc12
InChIInChI=1S/C18H26N4/c1-19-10-11-22(2)13-15-12-20-21-18(15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18-21H,10-13H2,1-2H3
InChIKeyKHRBXEAMHQNYKN-UHFFFAOYSA-N
XLogP1.76
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine (CID 126647400) is N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine is CNCCN(C)CC1CNNC1c1cccc2ccccc12.
What is the InChIKey of N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is KHRBXEAMHQNYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-19-10-11-22(2)13-15-12-20-21-18(15)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18-21H,10-13H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 126647400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).