N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine

C17H29N — CID 22758167

IUPACN,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine
SMILESCCC(C1CCCC2=C1CC=CC2)N(CC)CC
InChIInChI=1S/C17H29N/c1-4-17(18(5-2)6-3)16-13-9-11-14-10-7-8-12-15(14)16/h7-8,16-17H,4-6,9-13H2,1-3H3
InChIKeyIGAXXDUDBWHJBP-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.55
Rot. Bonds5

About N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine

N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine (PubChem CID 22758167) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine
PubChem CID22758167
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine
SMILESCCC(C1CCCC2=C1CC=CC2)N(CC)CC
InChIInChI=1S/C17H29N/c1-4-17(18(5-2)6-3)16-13-9-11-14-10-7-8-12-15(14)16/h7-8,16-17H,4-6,9-13H2,1-3H3
InChIKeyIGAXXDUDBWHJBP-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine (CID 22758167) is N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine is CCC(C1CCCC2=C1CC=CC2)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine?
The InChIKey is IGAXXDUDBWHJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-17(18(5-2)6-3)16-13-9-11-14-10-7-8-12-15(14)16/h7-8,16-17H,4-6,9-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine?
N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 22758167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).