N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine

C19H28N2 — CID 103729405

IUPACN'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-15(2)21(4)14-8-13-20-16(3)18-12-7-10-17-9-5-6-11-19(17)18/h5-7,9-12,15-16,20H,8,13-14H2,1-4H3
InChIKeyHMPWWWQZWPMFED-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.22
Rot. Bonds7

About N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103729405) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103729405
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(NCCCN(C)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-15(2)21(4)14-8-13-20-16(3)18-12-7-10-17-9-5-6-11-19(17)18/h5-7,9-12,15-16,20H,8,13-14H2,1-4H3
InChIKeyHMPWWWQZWPMFED-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
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-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
CID 71723808
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
N'-methyl-N'-propan-2-yl-N-[1-(2,3,4-trichlorophenyl)ethyl]propane-1,3-diamine
CID 106040177

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine (CID 103729405) is N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine is CC(NCCCN(C)C(C)C)c1cccc2ccccc12.
What is the InChIKey of N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is HMPWWWQZWPMFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-15(2)21(4)14-8-13-20-16(3)18-12-7-10-17-9-5-6-11-19(17)18/h5-7,9-12,15-16,20H,8,13-14H2,1-4H3.
What are the key properties of N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103729405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).