N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride

C17H26Cl2N2 — CID 17294534

IUPACN',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/c1-3-19(4-2)13-12-18-14-16-10-7-9-15-8-5-6-11-17(15)16;;/h5-11,18H,3-4,12-14H2,1-2H3;2*1H
InChIKeyUCLVCRBCNGPLNA-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.11
Rot. Bonds7

About N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride

N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 17294534) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID17294534
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/c1-3-19(4-2)13-12-18-14-16-10-7-9-15-8-5-6-11-17(15)16;;/h5-11,18H,3-4,12-14H2,1-2H3;2*1H
InChIKeyUCLVCRBCNGPLNA-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719878
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(2-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N',N'-diethyl-N-[[2-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54861568
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059357
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17216179
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 17216180

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride (CID 17294534) is N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride is CCN(CC)CCNCc1cccc2ccccc12.Cl.Cl.
What is the InChIKey of N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is UCLVCRBCNGPLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2ClH/c1-3-19(4-2)13-12-18-14-16-10-7-9-15-8-5-6-11-17(15)16;;/h5-11,18H,3-4,12-14H2,1-2H3;2*1H.
What are the key properties of N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride?
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17294534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).