N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine

C24H36N2O — CID 25344

IUPACN',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCC(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C24H36N2O/c1-3-26(4-2)15-14-25-19-20(18-23-12-8-16-27-23)17-22-11-7-10-21-9-5-6-13-24(21)22/h5-7,9-11,13,20,23,25H,3-4,8,12,14-19H2,1-2H3
InChIKeyACTDJYSOAKJYKF-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.50
Rot. Bonds11

About N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine (PubChem CID 25344) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine
PubChem CID25344
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC NameN',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCC(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C24H36N2O/c1-3-26(4-2)15-14-25-19-20(18-23-12-8-16-27-23)17-22-11-7-10-21-9-5-6-13-24(21)22/h5-7,9-11,13,20,23,25H,3-4,8,12,14-19H2,1-2H3
InChIKeyACTDJYSOAKJYKF-UHFFFAOYSA-N
XLogP4.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine (CID 25344) is N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine is CCN(CC)CCNCC(Cc1cccc2ccccc12)CC1CCCO1.
What is the InChIKey of N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine?
The InChIKey is ACTDJYSOAKJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-26(4-2)15-14-25-19-20(18-23-12-8-16-27-23)17-22-11-7-10-21-9-5-6-13-24(21)22/h5-7,9-11,13,20,23,25H,3-4,8,12,14-19H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine has a molecular weight of 368.57 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 25344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).