N-ethyl-3-naphthalen-1-ylbutan-1-amine

C16H21N — CID 81020058

IUPACN-ethyl-3-naphthalen-1-ylbutan-1-amine
SMILESCCNCCC(C)c1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-3-17-12-11-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17H,3,11-12H2,1-2H3
InChIKeyYVEMDZBYEPDMCC-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.94
Rot. Bonds5

About N-ethyl-3-naphthalen-1-ylbutan-1-amine

N-ethyl-3-naphthalen-1-ylbutan-1-amine (PubChem CID 81020058) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-3-naphthalen-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-naphthalen-1-ylbutan-1-amine
PubChem CID81020058
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-ethyl-3-naphthalen-1-ylbutan-1-amine
SMILESCCNCCC(C)c1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-3-17-12-11-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17H,3,11-12H2,1-2H3
InChIKeyYVEMDZBYEPDMCC-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-naphthalen-1-ylpentanal
CID 10774914
N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-naphthalen-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-naphthalen-1-ylbutan-1-amine (CID 81020058) is N-ethyl-3-naphthalen-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-naphthalen-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-naphthalen-1-ylbutan-1-amine is CCNCCC(C)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-3-naphthalen-1-ylbutan-1-amine?
The InChIKey is YVEMDZBYEPDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-17-12-11-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-naphthalen-1-ylbutan-1-amine?
N-ethyl-3-naphthalen-1-ylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-naphthalen-1-ylbutan-1-amine is sourced from PubChem (CID 81020058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).