N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine

C18H27N — CID 66039249

IUPACN-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NCC)C1CCc2ccccc2C1
InChIInChI=1S/C18H27N/c1-4-14(3)12-18(19-5-2)17-11-10-15-8-6-7-9-16(15)13-17/h6-9,17-19H,3-5,10-13H2,1-2H3
InChIKeyWKHIHTPMVRIEDN-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.13
Rot. Bonds6

About N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine

N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine (PubChem CID 66039249) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
PubChem CID66039249
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NCC)C1CCc2ccccc2C1
InChIInChI=1S/C18H27N/c1-4-14(3)12-18(19-5-2)17-11-10-15-8-6-7-9-16(15)13-17/h6-9,17-19H,3-5,10-13H2,1-2H3
InChIKeyWKHIHTPMVRIEDN-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
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-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine (CID 66039249) is N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine is C=C(CC)CC(NCC)C1CCc2ccccc2C1.
What is the InChIKey of N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
The InChIKey is WKHIHTPMVRIEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-4-14(3)12-18(19-5-2)17-11-10-15-8-6-7-9-16(15)13-17/h6-9,17-19H,3-5,10-13H2,1-2H3.
What are the key properties of N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine?
N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine is sourced from PubChem (CID 66039249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).