N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine

C19H28N2 — CID 43102399

IUPACN',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-21(5-2)15-9-14-20-16(3)18-13-8-11-17-10-6-7-12-19(17)18/h6-8,10-13,16,20H,4-5,9,14-15H2,1-3H3
InChIKeyLNJARUPOXZXXFS-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.22
Rot. Bonds8

About N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine

N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine (PubChem CID 43102399) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
PubChem CID43102399
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-21(5-2)15-9-14-20-16(3)18-13-8-11-17-10-6-7-12-19(17)18/h6-8,10-13,16,20H,4-5,9,14-15H2,1-3H3
InChIKeyLNJARUPOXZXXFS-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.22
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'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
N',N'-diethyl-N-[1-(2-nitrophenyl)ethyl]propane-1,3-diamine
CID 43147574
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine (CID 43102399) is N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine is CCN(CC)CCCNC(C)c1cccc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine?
The InChIKey is LNJARUPOXZXXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-21(5-2)15-9-14-20-16(3)18-13-8-11-17-10-6-7-12-19(17)18/h6-8,10-13,16,20H,4-5,9,14-15H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine?
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 43102399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).