N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine

C17H24N2 — CID 15280089

IUPACN',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-3-19(4-2)14-8-13-18-17-12-7-10-15-9-5-6-11-16(15)17/h5-7,9-12,18H,3-4,8,13-14H2,1-2H3
InChIKeyZREHLHBTUAUWAB-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.98
Rot. Bonds7

About N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine

N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine (PubChem CID 15280089) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
PubChem CID15280089
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-3-19(4-2)14-8-13-18-17-12-7-10-15-9-5-6-11-16(15)17/h5-7,9-12,18H,3-4,8,13-14H2,1-2H3
InChIKeyZREHLHBTUAUWAB-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.98
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-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 4667810
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-[2-[4-[2-(diethylamino)ethyl]piperidin-1-yl]ethyl]naphthalen-1-amine
CID 154096331
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
N',N'-diethyl-N-(3-fluoro-2-nitrophenyl)propane-1,3-diamine
CID 60789823
N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
CID 134130331
2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine (CID 15280089) is N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine is CCN(CC)CCCNc1cccc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine?
The InChIKey is ZREHLHBTUAUWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-19(4-2)14-8-13-18-17-12-7-10-15-9-5-6-11-16(15)17/h5-7,9-12,18H,3-4,8,13-14H2,1-2H3.
What are the key properties of N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine?
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.98, 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-ylpropane-1,3-diamine is sourced from PubChem (CID 15280089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).